2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C23H27N5O — CID 154627805

IUPAC2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CC[C@@H](COc2nc(N)c3c(n2)CN(c2cccc4ccccc24)CC3)C1
InChIInChI=1S/C23H27N5O/c1-27-11-9-16(13-27)15-29-23-25-20-14-28(12-10-19(20)22(24)26-23)21-8-4-6-17-5-2-3-7-18(17)21/h2-8,16H,9-15H2,1H3,(H2,24,25,26)/t16-/m1/s1
InChIKeyNBTHKSORLZXZKB-MRXNPFEDSA-N
MW389.50 g/mol
LogP3.11
Rot. Bonds4

About 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 154627805) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID154627805
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CC[C@@H](COc2nc(N)c3c(n2)CN(c2cccc4ccccc24)CC3)C1
InChIInChI=1S/C23H27N5O/c1-27-11-9-16(13-27)15-29-23-25-20-14-28(12-10-19(20)22(24)26-23)21-8-4-6-17-5-2-3-7-18(17)21/h2-8,16H,9-15H2,1H3,(H2,24,25,26)/t16-/m1/s1
InChIKeyNBTHKSORLZXZKB-MRXNPFEDSA-N
XLogP3.11
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[2-(hydroxymethyl)-4-[2-[[(3S)-1-methylpiperidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 164992782
7-(8-ethylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627755
tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 159913449
2-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627867
2-fluoro-1-[4-[7-(8-methylnaphthalen-1-yl)-2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 138637786
4-[4-amino-2-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;N,N-diethylprop-2-enamide
CID 159679011
4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 159079640
2-fluoro-1-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 138637981
4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 157048541
2-[[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627760
4-[4-amino-2-[2-(diethylamino)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 160514019
2-[(2S)-4-[7-(3-hydroxynaphthalen-1-yl)-2-[(1-methylpyrrolidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 149321839

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 154627805) is 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CN1CC[C@@H](COc2nc(N)c3c(n2)CN(c2cccc4ccccc24)CC3)C1.
What is the InChIKey of 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is NBTHKSORLZXZKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27-11-9-16(13-27)15-29-23-25-20-14-28(12-10-19(20)22(24)26-23)21-8-4-6-17-5-2-3-7-18(17)21/h2-8,16H,9-15H2,1H3,(H2,24,25,26)/t16-/m1/s1.
What are the key properties of 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154627805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).