[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine

C11H11F2N5 — CID 114206164

IUPAC[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
SMILESCc1cnc(-c2ncc(CN)c(C(F)F)n2)nc1
InChIInChI=1S/C11H11F2N5/c1-6-3-15-10(16-4-6)11-17-5-7(2-14)8(18-11)9(12)13/h3-5,9H,2,14H2,1H3
InChIKeyMDDHFYUTJLLNNI-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.64
Rot. Bonds3

About [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine

[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 114206164) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
PubChem CID114206164
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC Name[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
SMILESCc1cnc(-c2ncc(CN)c(C(F)F)n2)nc1
InChIInChI=1S/C11H11F2N5/c1-6-3-15-10(16-4-6)11-17-5-7(2-14)8(18-11)9(12)13/h3-5,9H,2,14H2,1H3
InChIKeyMDDHFYUTJLLNNI-UHFFFAOYSA-N
XLogP1.64
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidine
CID 114205496
[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 114206169
2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine
CID 114207192
5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine
CID 114206080
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
[4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 130483517
[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
CID 118807137
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431871
[3-chloro-2-(difluoromethyl)-5-methyl-4-pyridinyl]methanamine
CID 118829811
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine (CID 114206164) is [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine is Cc1cnc(-c2ncc(CN)c(C(F)F)n2)nc1.
What is the InChIKey of [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is MDDHFYUTJLLNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c1-6-3-15-10(16-4-6)11-17-5-7(2-14)8(18-11)9(12)13/h3-5,9H,2,14H2,1H3.
What are the key properties of [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine?
[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 251.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).