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

C14H21N5O — CID 146202390

IUPAC(7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NC2CC(C)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C14H21N5O/c1-7-5-10(6-7)16-14-15-8(2)11-12(18-14)19(4)9(3)13(20)17-11/h7,9-10H,5-6H2,1-4H3,(H,17,20)(H,15,16,18)/t7?,9-,10?/m0/s1
InChIKeyPFCKDJDHFMJDBO-ZAJCDATESA-N
MW275.36 g/mol
LogP1.77
Rot. Bonds2

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

(7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one (PubChem CID 146202390) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one
PubChem CID146202390
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NC2CC(C)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C14H21N5O/c1-7-5-10(6-7)16-14-15-8(2)11-12(18-14)19(4)9(3)13(20)17-11/h7,9-10H,5-6H2,1-4H3,(H,17,20)(H,15,16,18)/t7?,9-,10?/m0/s1
InChIKeyPFCKDJDHFMJDBO-ZAJCDATESA-N
XLogP1.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methane;sulfane;(7S)-4,7,8-trimethyl-2-[[3-[(S)-(3,4,5-trifluorophenyl)sulfinyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 162093529
(7S)-2-[[3-(3,4-difluorophenoxy)cyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146194051
(7S)-4,7,8-trimethyl-2-[[3-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194799
1-(2,3,4-trifluorophenyl)-3-[3-[[(7S)-4,7,8-trimethyl-6-oxo-5,7-dihydropteridin-2-yl]amino]cyclobutyl]urea
CID 146194667
(7S)-2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146194804
(7S)-4,7,8-trimethyl-2-[[3-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 176855005
(7S)-4,7,8-trimethyl-2-[[(3S,5S)-5-[(3,4,5-trifluorophenoxy)methyl]oxolan-3-yl]amino]-5,7-dihydropteridin-6-one
CID 146195233
(7S)-4,7,8-trimethyl-2-[[(3S,5R)-5-[(3,4,5-trifluorophenoxy)methyl]oxolan-3-yl]amino]-5,7-dihydropteridin-6-one;(7S)-4,7,8-trimethyl-2-[[(3R,5S)-5-[(3,4,5-trifluorophenoxy)methyl]oxolan-3-yl]amino]-5,7-dihydropteridin-6-one
CID 159412214
tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate
CID 150340735
(7S)-4,7,8-trimethyl-2-[[3-(3,4,5-trifluorophenoxy)cyclobutyl]methylamino]-5,7-dihydropteridin-6-one
CID 146202997
(7R)-7-(hydroxymethyl)-4,8-dimethyl-2-[[3-(3,4,5-trifluorophenoxy)cyclobutyl]amino]-5,7-dihydropteridin-6-one;methane
CID 161040999
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194411

Frequently Asked Questions

What is the IUPAC name of (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one (CID 146202390) is (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one is Cc1nc(NC2CC(C)C2)nc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one?
The InChIKey is PFCKDJDHFMJDBO-ZAJCDATESA-N. The full InChI is InChI=1S/C14H21N5O/c1-7-5-10(6-7)16-14-15-8(2)11-12(18-14)19(4)9(3)13(20)17-11/h7,9-10H,5-6H2,1-4H3,(H,17,20)(H,15,16,18)/t7?,9-,10?/m0/s1.
What are the key properties of (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one?
(7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one has a molecular weight of 275.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,7,8-trimethyl-2-[(3-methylcyclobutyl)amino]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146202390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).