N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

C13H17F2N5 — CID 138014760

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCc2nccn2C(F)F)n1
InChIInChI=1S/C13H17F2N5/c1-8(2)10-6-9(3)18-13(19-10)17-7-11-16-4-5-20(11)12(14)15/h4-6,8,12H,7H2,1-3H3,(H,17,18,19)
InChIKeyKDMQOAHSPYNOHP-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.11
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 138014760) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID138014760
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCc2nccn2C(F)F)n1
InChIInChI=1S/C13H17F2N5/c1-8(2)10-6-9(3)18-13(19-10)17-7-11-16-4-5-20(11)12(14)15/h4-6,8,12H,7H2,1-3H3,(H,17,18,19)
InChIKeyKDMQOAHSPYNOHP-UHFFFAOYSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 138014760) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is Cc1cc(C(C)C)nc(NCc2nccn2C(F)F)n1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is KDMQOAHSPYNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/c1-8(2)10-6-9(3)18-13(19-10)17-7-11-16-4-5-20(11)12(14)15/h4-6,8,12H,7H2,1-3H3,(H,17,18,19).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 281.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 138014760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).