N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine

C20H21F2N5 — CID 10177126

IUPACN-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
SMILESCc1nn(-c2ccc(F)cc2F)cc1-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C20H21F2N5/c1-13-16(12-27(26-13)19-8-7-14(21)11-17(19)22)18-9-10-23-20(25-18)24-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,24,25)
InChIKeyMEANSZMZZPMMIP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.66
Rot. Bonds4

About N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine

N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine (PubChem CID 10177126) has the molecular formula C20H21F2N5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
PubChem CID10177126
Molecular FormulaC20H21F2N5
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC NameN-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
SMILESCc1nn(-c2ccc(F)cc2F)cc1-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C20H21F2N5/c1-13-16(12-27(26-13)19-8-7-14(21)11-17(19)22)18-9-10-23-20(25-18)24-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,24,25)
InChIKeyMEANSZMZZPMMIP-UHFFFAOYSA-N
XLogP4.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine (CID 10177126) is N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine is Cc1nn(-c2ccc(F)cc2F)cc1-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is MEANSZMZZPMMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5/c1-13-16(12-27(26-13)19-8-7-14(21)11-17(19)22)18-9-10-23-20(25-18)24-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 369.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10177126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).