5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C12H20N4O — CID 136723579

IUPAC5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2N)CCCC1
InChIInChI=1S/C12H20N4O/c1-2-12(5-3-4-6-12)7-14-10-9(13)11(17)16-8-15-10/h8H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyQYCQJLDRNLNBRS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds4

About 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136723579) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136723579
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2N)CCCC1
InChIInChI=1S/C12H20N4O/c1-2-12(5-3-4-6-12)7-14-10-9(13)11(17)16-8-15-10/h8H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyQYCQJLDRNLNBRS-UHFFFAOYSA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816
5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750473
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786653
5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794531
5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817754
5-amino-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824088
5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825673

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136723579) is 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2N)CCCC1.
What is the InChIKey of 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is QYCQJLDRNLNBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-12(5-3-4-6-12)7-14-10-9(13)11(17)16-8-15-10/h8H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).