2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136824093

IUPAC2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-19-8-11(9(2)3)15-12-7-13(18)17-14(16-12)10-5-6-10/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyNTDXUPBMWCHYQI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds7

About 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136824093) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136824093
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-19-8-11(9(2)3)15-12-7-13(18)17-14(16-12)10-5-6-10/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyNTDXUPBMWCHYQI-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 137016449
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852193
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241636
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136824093) is 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CCOCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(C)C.
What is the InChIKey of 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is NTDXUPBMWCHYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-8-11(9(2)3)15-12-7-13(18)17-14(16-12)10-5-6-10/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136824093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).