7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C25H30N4O2 — CID 95798351

IUPAC7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccco3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H30N4O2/c1-19-26-24-18-28(15-20-7-3-2-4-8-20)12-11-23(24)25(27-19)29(16-21-9-5-13-30-21)17-22-10-6-14-31-22/h2-5,7-9,13,22H,6,10-12,14-18H2,1H3/t22-/m1/s1
InChIKeyZJBYOOHFDBFAHD-JOCHJYFZSA-N
MW418.54 g/mol
LogP4.12
Rot. Bonds7

About 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 95798351) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID95798351
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccco3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H30N4O2/c1-19-26-24-18-28(15-20-7-3-2-4-8-20)12-11-23(24)25(27-19)29(16-21-9-5-13-30-21)17-22-10-6-14-31-22/h2-5,7-9,13,22H,6,10-12,14-18H2,1H3/t22-/m1/s1
InChIKeyZJBYOOHFDBFAHD-JOCHJYFZSA-N
XLogP4.12
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110214334
N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798355
6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110219427
N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53031430
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 124880309
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806148
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 97231281
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 95798351) is 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(N(Cc3ccco3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ZJBYOOHFDBFAHD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-26-24-18-28(15-20-7-3-2-4-8-20)12-11-23(24)25(27-19)29(16-21-9-5-13-30-21)17-22-10-6-14-31-22/h2-5,7-9,13,22H,6,10-12,14-18H2,1H3/t22-/m1/s1.
What are the key properties of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 418.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95798351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).