(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one

C11H19N3O — CID 164865049

IUPAC(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one
SMILESCC[C@]1(C)CC(=O)N(CC2CC2)C(N)=N1
InChIInChI=1S/C11H19N3O/c1-3-11(2)6-9(15)14(10(12)13-11)7-8-4-5-8/h8H,3-7H2,1-2H3,(H2,12,13)/t11-/m1/s1
InChIKeyNFBQFMVDQBNEIO-LLVKDONJSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

About (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one

(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one (PubChem CID 164865049) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one
PubChem CID164865049
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one
SMILESCC[C@]1(C)CC(=O)N(CC2CC2)C(N)=N1
InChIInChI=1S/C11H19N3O/c1-3-11(2)6-9(15)14(10(12)13-11)7-8-4-5-8/h8H,3-7H2,1-2H3,(H2,12,13)/t11-/m1/s1
InChIKeyNFBQFMVDQBNEIO-LLVKDONJSA-N
XLogP1.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetylene;2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;ethane
CID 156742922
2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl)formamide
CID 164865168
(6S)-2-amino-6-[3-(4-fluoroanilino)-2-methylphenyl]-6-methyl-3-(oxan-4-ylmethyl)-5H-pyrimidin-4-one
CID 156665980
acetylene;2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;N-(6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)nitrous amide;(3Z)-penta-1,3-diene
CID 156742859
acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-2-methylcyclopropane-1-carboxamide;methoxyethane
CID 164864654
(2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 164864792
1-[4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 121306931
4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985561
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 164864896
cis-(1R,2R)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 166591182
trans-(1R,2R)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylcyclopropane-1-carboxamide
CID 171442177
cis-(1S,2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442024

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one?
The IUPAC name of (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one (CID 164865049) is (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one?
The canonical SMILES for (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one is CC[C@]1(C)CC(=O)N(CC2CC2)C(N)=N1.
What is the InChIKey of (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one?
The InChIKey is NFBQFMVDQBNEIO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-11(2)6-9(15)14(10(12)13-11)7-8-4-5-8/h8H,3-7H2,1-2H3,(H2,12,13)/t11-/m1/s1.
What are the key properties of (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one?
(6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-3-(cyclopropylmethyl)-6-ethyl-6-methyl-5H-pyrimidin-4-one is sourced from PubChem (CID 164865049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).