2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine

C10H12F2N6 — CID 141357970

IUPAC2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cnn(CC(F)F)c2)nc1N
InChIInChI=1S/C10H12F2N6/c1-6-2-14-10(17-9(6)13)16-7-3-15-18(4-7)5-8(11)12/h2-4,8H,5H2,1H3,(H3,13,14,16,17)
InChIKeyCYUXZDDCOBPYOY-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.57
Rot. Bonds4

About 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine

2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine (PubChem CID 141357970) has the molecular formula C10H12F2N6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine
PubChem CID141357970
Molecular FormulaC10H12F2N6
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Name2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cnn(CC(F)F)c2)nc1N
InChIInChI=1S/C10H12F2N6/c1-6-2-14-10(17-9(6)13)16-7-3-15-18(4-7)5-8(11)12/h2-4,8H,5H2,1H3,(H3,13,14,16,17)
InChIKeyCYUXZDDCOBPYOY-UHFFFAOYSA-N
XLogP1.57
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
1-[5-Chloro-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclopropane-1-carbonitrile
CID 67818622
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
1-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclopropane-1-carbonitrile
CID 69093717

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine (CID 141357970) is 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2cnn(CC(F)F)c2)nc1N.
What is the InChIKey of 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is CYUXZDDCOBPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6/c1-6-2-14-10(17-9(6)13)16-7-3-15-18(4-7)5-8(11)12/h2-4,8H,5H2,1H3,(H3,13,14,16,17).
What are the key properties of 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine?
2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 254.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 141357970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).