4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine

C16H14ClF2N5O — CID 166101933

IUPAC4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Cc1cn(C(F)F)nc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C16H14ClF2N5O/c1-25-12-5-3-2-4-9(12)6-10-8-24(15(18)19)23-14(10)11-7-13(17)22-16(20)21-11/h2-5,7-8,15H,6H2,1H3,(H2,20,21,22)
InChIKeyQEHZLJDAKRIWCO-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.57
Rot. Bonds5

About 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 166101933) has the molecular formula C16H14ClF2N5O and a molecular weight of 365.77 g/mol. Its IUPAC name is 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine
PubChem CID166101933
Molecular FormulaC16H14ClF2N5O
Molecular Weight365.77 g/mol
Exact Mass365.09
IUPAC Name4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Cc1cn(C(F)F)nc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C16H14ClF2N5O/c1-25-12-5-3-2-4-9(12)6-10-8-24(15(18)19)23-14(10)11-7-13(17)22-16(20)21-11/h2-5,7-8,15H,6H2,1H3,(H2,20,21,22)
InChIKeyQEHZLJDAKRIWCO-UHFFFAOYSA-N
XLogP3.57
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine (CID 166101933) is 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine is COc1ccccc1Cc1cn(C(F)F)nc1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is QEHZLJDAKRIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O/c1-25-12-5-3-2-4-9(12)6-10-8-24(15(18)19)23-14(10)11-7-13(17)22-16(20)21-11/h2-5,7-8,15H,6H2,1H3,(H2,20,21,22).
What are the key properties of 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 365.77 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(difluoromethyl)-4-[(2-methoxyphenyl)methyl]pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166101933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).