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

C14H25N3O2 — CID 136723591

IUPAC4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3,4)6-7-19-5/h8,10H,6-7,9H2,1-5H3,(H2,15,16,17,18)
InChIKeyCWYYUHYFGIFNQQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds7

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

4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136723591) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136723591
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3,4)6-7-19-5/h8,10H,6-7,9H2,1-5H3,(H2,15,16,17,18)
InChIKeyCWYYUHYFGIFNQQ-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136723591) is 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is COCCC(C)(C)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CWYYUHYFGIFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3,4)6-7-19-5/h8,10H,6-7,9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.37, 7 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]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136723591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).