N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C11H12F3N5 — CID 56881227

IUPACN-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2ncc[nH]2)n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)3-1-8-2-4-17-10(19-8)18-7-9-15-5-6-16-9/h2,4-6H,1,3,7H2,(H,15,16)(H,17,18,19)
InChIKeyHBCHWOMMOJOFHD-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.31
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56881227) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56881227
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCc2ncc[nH]2)n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)3-1-8-2-4-17-10(19-8)18-7-9-15-5-6-16-9/h2,4-6H,1,3,7H2,(H,15,16)(H,17,18,19)
InChIKeyHBCHWOMMOJOFHD-UHFFFAOYSA-N
XLogP2.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56881227) is N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCc2ncc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is HBCHWOMMOJOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)3-1-8-2-4-17-10(19-8)18-7-9-15-5-6-16-9/h2,4-6H,1,3,7H2,(H,15,16)(H,17,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 271.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56881227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).