2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one

C15H25N3O — CID 136731499

IUPAC2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CCC)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-3-5-7-12(6-4-2)16-13-10-14(19)18-15(17-13)11-8-9-11/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyXWHLNRMQIXUNOZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds8

About 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 136731499) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
PubChem CID136731499
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CCC)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-3-5-7-12(6-4-2)16-13-10-14(19)18-15(17-13)11-8-9-11/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyXWHLNRMQIXUNOZ-UHFFFAOYSA-N
XLogP3.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
2-cyclopropyl-4-(methylamino)-1H-pyrimidin-6-one
CID 136294346
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018
4-[(2-amino-1-cyclopentylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672023

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one (CID 136731499) is 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one is CCCCC(CCC)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is XWHLNRMQIXUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-7-12(6-4-2)16-13-10-14(19)18-15(17-13)11-8-9-11/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136731499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).