2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C21H30N6 — CID 95201074

IUPAC2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(N(C)C[C@H]3CCN(c4ccccc4)C3)n1)CCNC2
InChIInChI=1S/C21H30N6/c1-25(2)21-23-19-13-22-11-9-18(19)20(24-21)26(3)14-16-10-12-27(15-16)17-7-5-4-6-8-17/h4-8,16,22H,9-15H2,1-3H3/t16-/m1/s1
InChIKeyQDQIXUGLBLITOR-MRXNPFEDSA-N
MW366.51 g/mol
LogP2.15
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 95201074) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID95201074
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(N(C)C[C@H]3CCN(c4ccccc4)C3)n1)CCNC2
InChIInChI=1S/C21H30N6/c1-25(2)21-23-19-13-22-11-9-18(19)20(24-21)26(3)14-16-10-12-27(15-16)17-7-5-4-6-8-17/h4-8,16,22H,9-15H2,1-3H3/t16-/m1/s1
InChIKeyQDQIXUGLBLITOR-MRXNPFEDSA-N
XLogP2.15
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 97131518
5-[3-[[[2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 56744472
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
CID 154892757
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
CID 56752919
(3S)-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 95207884
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 95201074) is 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CN(C)c1nc2c(c(N(C)C[C@H]3CCN(c4ccccc4)C3)n1)CCNC2.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is QDQIXUGLBLITOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N6/c1-25(2)21-23-19-13-22-11-9-18(19)20(24-21)26(3)14-16-10-12-27(15-16)17-7-5-4-6-8-17/h4-8,16,22H,9-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 366.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 95201074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).