2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136723592

IUPAC2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,6-7-19-3)9-15-11-8-12(18)17-13(16-11)10-4-5-10/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMWUSLIPSMDBMRV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds7

About 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136723592) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136723592
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,6-7-19-3)9-15-11-8-12(18)17-13(16-11)10-4-5-10/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMWUSLIPSMDBMRV-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

4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852193
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (CID 136723592) is 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is COCCC(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MWUSLIPSMDBMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,6-7-19-3)9-15-11-8-12(18)17-13(16-11)10-4-5-10/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)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-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).