N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C13H21N5 — CID 155901618

IUPACN-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2C)nc2c1CCNC2
InChIInChI=1S/C13H21N5/c1-14-12-9-5-6-15-8-10(9)16-13(17-12)11-4-3-7-18(11)2/h11,15H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyVWNJSGWGNRUWAV-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.93
Rot. Bonds2

About N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 155901618) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID155901618
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2C)nc2c1CCNC2
InChIInChI=1S/C13H21N5/c1-14-12-9-5-6-15-8-10(9)16-13(17-12)11-4-3-7-18(11)2/h11,15H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyVWNJSGWGNRUWAV-UHFFFAOYSA-N
XLogP0.93
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
1-[2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082221
1-[4-(methylamino)-2-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95836531
2-(4-fluorophenyl)-1-[(2R)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95836494
2-cyclopentyl-1-[4-(methylamino)-2-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92622874
N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 175661679
2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 110265879
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
N-benzyl-2-[(2S)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 95836518
7-(3-fluoro-4-methylphenyl)sulfonyl-N-methyl-2-(1-methylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110265937
1-[(2S)-2-[6-(2-hydroxyethyl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124962527
1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082226

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 155901618) is N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCCN2C)nc2c1CCNC2.
What is the InChIKey of N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VWNJSGWGNRUWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-14-12-9-5-6-15-8-10(9)16-13(17-12)11-4-3-7-18(11)2/h11,15H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155901618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).