6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine

C11H13F2N5 — CID 138030384

IUPAC6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCn1ccnc1CCNc1cc(C(F)F)ncn1
InChIInChI=1S/C11H13F2N5/c1-18-5-4-15-10(18)2-3-14-9-6-8(11(12)13)16-7-17-9/h4-7,11H,2-3H2,1H3,(H,14,16,17)
InChIKeyRTHYGPHFGDZROX-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.80
Rot. Bonds5

About 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine

6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 138030384) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID138030384
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCn1ccnc1CCNc1cc(C(F)F)ncn1
InChIInChI=1S/C11H13F2N5/c1-18-5-4-15-10(18)2-3-14-9-6-8(11(12)13)16-7-17-9/h4-7,11H,2-3H2,1H3,(H,14,16,17)
InChIKeyRTHYGPHFGDZROX-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
5-fluoro-6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 103644661
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
N-[2-(1-methylimidazol-2-yl)ethyl]-4-methylsulfanylaniline
CID 114527448
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine (CID 138030384) is 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine is Cn1ccnc1CCNc1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RTHYGPHFGDZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-18-5-4-15-10(18)2-3-14-9-6-8(11(12)13)16-7-17-9/h4-7,11H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine?
6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 253.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 138030384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).