(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

C20H26N6O — CID 146194804

IUPAC(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(N[C@H]2CCN(Cc3ccccc3)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C20H26N6O/c1-13-17-18(25(3)14(2)19(27)23-17)24-20(21-13)22-16-9-10-26(12-16)11-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,23,27)(H,21,22,24)/t14-,16-/m0/s1
InChIKeyGDZZLQUTGRAACY-HOCLYGCPSA-N
MW366.47 g/mol
LogP2.25
Rot. Bonds4

About (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (PubChem CID 146194804) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
PubChem CID146194804
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(N[C@H]2CCN(Cc3ccccc3)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C20H26N6O/c1-13-17-18(25(3)14(2)19(27)23-17)24-20(21-13)22-16-9-10-26(12-16)11-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,23,27)(H,21,22,24)/t14-,16-/m0/s1
InChIKeyGDZZLQUTGRAACY-HOCLYGCPSA-N
XLogP2.25
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146202792
4-[[4-[[[(7S)-4,7,8-trimethyl-6-oxo-5,7-dihydropteridin-2-yl]amino]methyl]pyrazol-1-yl]methyl]benzonitrile
CID 146202281
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
methane;sulfane;(7S)-4,7,8-trimethyl-2-[[3-[(S)-(3,4,5-trifluorophenyl)sulfinyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 162093529
4-(azepan-1-yl)-N-(1-benzylpyrrolidin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 66903055
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
1-(2,3,4-trifluorophenyl)-3-[3-[[(7S)-4,7,8-trimethyl-6-oxo-5,7-dihydropteridin-2-yl]amino]cyclobutyl]urea
CID 146194667
2-[[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146203381
(7S)-4,7,8-trimethyl-2-[[3-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 176855005
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (CID 146194804) is (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is Cc1nc(N[C@H]2CCN(Cc3ccccc3)C2)nc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The InChIKey is GDZZLQUTGRAACY-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-17-18(25(3)14(2)19(27)23-17)24-20(21-13)22-16-9-10-26(12-16)11-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,23,27)(H,21,22,24)/t14-,16-/m0/s1.
What are the key properties of (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one has a molecular weight of 366.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146194804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).