6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine

C9H12ClF2N3 — CID 130979497

IUPAC6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)C(F)F)n1
InChIInChI=1S/C9H12ClF2N3/c1-4-7(10)14-6(3)15-9(4)13-5(2)8(11)12/h5,8H,1-3H3,(H,13,14,15)
InChIKeyBCKRZAOHCWIIAZ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.81
Rot. Bonds3

About 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 130979497) has the molecular formula C9H12ClF2N3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID130979497
Molecular FormulaC9H12ClF2N3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)C(F)F)n1
InChIInChI=1S/C9H12ClF2N3/c1-4-7(10)14-6(3)15-9(4)13-5(2)8(11)12/h5,8H,1-3H3,(H,13,14,15)
InChIKeyBCKRZAOHCWIIAZ-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
6-chloro-N,2,5-trimethylpyrimidin-4-amine
CID 59158241
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293438
6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113387490
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192396
N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63735248
4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
CID 64910682
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55231599

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine (CID 130979497) is 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC(C)C(F)F)n1.
What is the InChIKey of 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is BCKRZAOHCWIIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3/c1-4-7(10)14-6(3)15-9(4)13-5(2)8(11)12/h5,8H,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 235.67 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 130979497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).