4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile

C9H9F3N4 — CID 116647054

IUPAC4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile
SMILESCc1nc(CCC(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C9H9F3N4/c1-5-6(4-13)8(14)16-7(15-5)2-3-9(10,11)12/h2-3H2,1H3,(H2,14,15,16)
InChIKeyPWFMJPYYJMBRCD-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.73
Rot. Bonds2

About 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile

4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile (PubChem CID 116647054) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile
PubChem CID116647054
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile
SMILESCc1nc(CCC(F)(F)F)nc(N)c1C#N
InChIInChI=1S/C9H9F3N4/c1-5-6(4-13)8(14)16-7(15-5)2-3-9(10,11)12/h2-3H2,1H3,(H2,14,15,16)
InChIKeyPWFMJPYYJMBRCD-UHFFFAOYSA-N
XLogP1.73
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
CID 116646992
5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79965193
4-amino-2-(ethoxymethyl)-6-methylpyrimidine-5-carbonitrile
CID 116647044
4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
CID 116647027
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
CID 79964597
5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 104846675
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79963994
N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964245
5-methyl-3-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carbonitrile
CID 106525864
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 79965289

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile (CID 116647054) is 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile is Cc1nc(CCC(F)(F)F)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile?
The InChIKey is PWFMJPYYJMBRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-5-6(4-13)8(14)16-7(15-5)2-3-9(10,11)12/h2-3H2,1H3,(H2,14,15,16).
What are the key properties of 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile?
4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116647054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).