N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

C11H15ClF3N3 — CID 64586830

IUPACN-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)N(CCCCl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3/c1-8(2)18(7-3-5-12)10-16-6-4-9(17-10)11(13,14)15/h4,6,8H,3,5,7H2,1-2H3
InChIKeyQZZWSCQRWGWFNH-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.34
Rot. Bonds5

About N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64586830) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64586830
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC NameN-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)N(CCCCl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3/c1-8(2)18(7-3-5-12)10-16-6-4-9(17-10)11(13,14)15/h4,6,8H,3,5,7H2,1-2H3
InChIKeyQZZWSCQRWGWFNH-UHFFFAOYSA-N
XLogP3.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 64585291
3-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
CID 64586234
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 64586044
N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586649
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 56786352
N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 133272153
N-benzyl-N-(2-chloroethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586828
N-(3-chloropropyl)-N-propan-2-yl-1,2,4-benzotriazin-3-amine
CID 103205065
N'-methyl-N-(2-methylpropyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 64585882
2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
CID 78964681
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 64586830) is N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)N(CCCCl)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QZZWSCQRWGWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-8(2)18(7-3-5-12)10-16-6-4-9(17-10)11(13,14)15/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 281.71 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64586830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).