5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one

C10H16ClN3O — CID 137009363

IUPAC5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(C)(C)C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)5-14(4)8-7(11)9(15)13-6-12-8/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyOSYNTPZISMJTAH-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.91
Rot. Bonds2

About 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009363) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID137009363
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(C)(C)C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)5-14(4)8-7(11)9(15)13-6-12-8/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyOSYNTPZISMJTAH-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
5-chloro-4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137009662
5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971313
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644
5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971007
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165
5-chloro-4-[cycloheptyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970851
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136970954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one (CID 137009363) is 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one is CN(CC(C)(C)C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OSYNTPZISMJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(2,3)5-14(4)8-7(11)9(15)13-6-12-8/h6H,5H2,1-4H3,(H,12,13,15).
What are the key properties of 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 229.71 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).