N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H16F3N5 — CID 97205691

IUPACN-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC[C@@H](Nc1nccc(C(F)(F)F)n1)c1nccn1C
InChIInChI=1S/C13H16F3N5/c1-3-4-9(11-17-7-8-21(11)2)19-12-18-6-5-10(20-12)13(14,15)16/h5-9H,3-4H2,1-2H3,(H,18,19,20)/t9-/m1/s1
InChIKeyVMQJPGRXRWBONM-SECBINFHSA-N
MW299.30 g/mol
LogP3.18
Rot. Bonds5

About N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 97205691) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID97205691
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC[C@@H](Nc1nccc(C(F)(F)F)n1)c1nccn1C
InChIInChI=1S/C13H16F3N5/c1-3-4-9(11-17-7-8-21(11)2)19-12-18-6-5-10(20-12)13(14,15)16/h5-9H,3-4H2,1-2H3,(H,18,19,20)/t9-/m1/s1
InChIKeyVMQJPGRXRWBONM-SECBINFHSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148770
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
CID 106357554
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106354403
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
N-hept-6-en-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 133436124
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 97205691) is N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine is CCC[C@@H](Nc1nccc(C(F)(F)F)n1)c1nccn1C.
What is the InChIKey of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VMQJPGRXRWBONM-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-3-4-9(11-17-7-8-21(11)2)19-12-18-6-5-10(20-12)13(14,15)16/h5-9H,3-4H2,1-2H3,(H,18,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 97205691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).