(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one

C11H17N5O2 — CID 153355600

IUPAC(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCO[C@H](C)[C@H]1C(=O)Nc2c(C)nc(N)nc2N1C
InChIInChI=1S/C11H17N5O2/c1-5-7-9(15-11(12)13-5)16(3)8(6(2)18-4)10(17)14-7/h6,8H,1-4H3,(H,14,17)(H2,12,13,15)/t6-,8+/m1/s1
InChIKeyYUILNSLLNRWOQO-SVRRBLITSA-N
MW251.29 g/mol
LogP0.16
Rot. Bonds2

About (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one

(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 153355600) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one
PubChem CID153355600
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCO[C@H](C)[C@H]1C(=O)Nc2c(C)nc(N)nc2N1C
InChIInChI=1S/C11H17N5O2/c1-5-7-9(15-11(12)13-5)16(3)8(6(2)18-4)10(17)14-7/h6,8H,1-4H3,(H,14,17)(H2,12,13,15)/t6-,8+/m1/s1
InChIKeyYUILNSLLNRWOQO-SVRRBLITSA-N
XLogP0.16
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 166645151
methane;(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-5,7-dihydropteridin-6-one
CID 167681613
(7S)-2-[[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 146195125
(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 148652579
(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one;sulfane
CID 167689808
5-fluoro-2-[[4-[2-[(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-6-oxo-5,7-dihydropteridin-2-yl]ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 167695637
(7S)-2-(azetidin-3-ylamino)-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one;2,2,2-trifluoroacetic acid
CID 146195001
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)-4,8-dimethyl-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methylamino]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 153444648
(7S)-4,8-dimethyl-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methylamino]-7-propan-2-yl-5,7-dihydropteridin-6-one;sulfane
CID 162080668
(7S)-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 148743753
(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)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one (CID 153355600) is (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one is CO[C@H](C)[C@H]1C(=O)Nc2c(C)nc(N)nc2N1C.
What is the InChIKey of (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one?
The InChIKey is YUILNSLLNRWOQO-SVRRBLITSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-7-9(15-11(12)13-5)16(3)8(6(2)18-4)10(17)14-7/h6,8H,1-4H3,(H,14,17)(H2,12,13,15)/t6-,8+/m1/s1.
What are the key properties of (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one?
(7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 153355600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).