4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane

C13H23N3O — CID 160966104

IUPAC4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
SMILESC.CC[C@H]1C[C@@H](Nc2cc(=O)[nH]cn2)C[C@@H]1C
InChIInChI=1S/C12H19N3O.CH4/c1-3-9-5-10(4-8(9)2)15-11-6-12(16)14-7-13-11;/h6-10H,3-5H2,1-2H3,(H2,13,14,15,16);1H4/t8-,9-,10-;/m0./s1
InChIKeySXQKOYITHYVNHL-PUBMXKGKSA-N
MW237.35 g/mol
LogP2.64
Rot. Bonds3

About 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane

4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane (PubChem CID 160966104) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane.

Molecular Properties

Compound Name4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
PubChem CID160966104
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
SMILESC.CC[C@H]1C[C@@H](Nc2cc(=O)[nH]cn2)C[C@@H]1C
InChIInChI=1S/C12H19N3O.CH4/c1-3-9-5-10(4-8(9)2)15-11-6-12(16)14-7-13-11;/h6-10H,3-5H2,1-2H3,(H2,13,14,15,16);1H4/t8-,9-,10-;/m0./s1
InChIKeySXQKOYITHYVNHL-PUBMXKGKSA-N
XLogP2.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane with MolForge

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Related Compounds

4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585
4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731500
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825670
4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one
CID 136852186
4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867385
5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867417
4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867421

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane?
The IUPAC name of 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane (CID 160966104) is 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane.
What is the SMILES notation for 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane?
The canonical SMILES for 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane is C.CC[C@H]1C[C@@H](Nc2cc(=O)[nH]cn2)C[C@@H]1C.
What is the InChIKey of 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane?
The InChIKey is SXQKOYITHYVNHL-PUBMXKGKSA-N. The full InChI is InChI=1S/C12H19N3O.CH4/c1-3-9-5-10(4-8(9)2)15-11-6-12(16)14-7-13-11;/h6-10H,3-5H2,1-2H3,(H2,13,14,15,16);1H4/t8-,9-,10-;/m0./s1.
What are the key properties of 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane?
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane has a molecular weight of 237.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane is sourced from PubChem (CID 160966104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).