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

C11H19N3O2 — CID 136723596

IUPAC4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,4-5-16-3)7-12-9-6-10(15)14-8-13-9/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyLEQCWTSZDUKPAU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds6

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

4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136723596) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136723596
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,4-5-16-3)7-12-9-6-10(15)14-8-13-9/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyLEQCWTSZDUKPAU-UHFFFAOYSA-N
XLogP1.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
CID 103241778
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
5-chloro-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723593
5-iodo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723594
5-bromo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723597
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723598
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (CID 136723596) is 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is COCCC(C)(C)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LEQCWTSZDUKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,4-5-16-3)7-12-9-6-10(15)14-8-13-9/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).