N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine

C11H14F2N6 — CID 19621222

IUPACN'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCn1nccc1-c1cc(C(F)F)nc(NCCN)n1
InChIInChI=1S/C11H14F2N6/c1-19-9(2-4-16-19)7-6-8(10(12)13)18-11(17-7)15-5-3-14/h2,4,6,10H,3,5,14H2,1H3,(H,15,17,18)
InChIKeyLXRXUOMBCFVGMI-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.19
Rot. Bonds5

About N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine

N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 19621222) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID19621222
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCn1nccc1-c1cc(C(F)F)nc(NCCN)n1
InChIInChI=1S/C11H14F2N6/c1-19-9(2-4-16-19)7-6-8(10(12)13)18-11(17-7)15-5-3-14/h2,4,6,10H,3,5,14H2,1H3,(H,15,17,18)
InChIKeyLXRXUOMBCFVGMI-UHFFFAOYSA-N
XLogP1.19
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine 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

6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80952490
2-(2-methylpyrazol-3-yl)-N-propylpyridin-4-amine
CID 102824790
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methanamine
CID 84661560
N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 19621199
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44821712
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(3-ethoxypropyl)pyrimidin-2-amine
CID 44821784
N-ethyl-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidin-4-amine
CID 114554308
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 81447352

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 19621222) is N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine is Cn1nccc1-c1cc(C(F)F)nc(NCCN)n1.
What is the InChIKey of N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is LXRXUOMBCFVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c1-19-9(2-4-16-19)7-6-8(10(12)13)18-11(17-7)15-5-3-14/h2,4,6,10H,3,5,14H2,1H3,(H,15,17,18).
What are the key properties of N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 268.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethyl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 19621222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).