4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine

C17H20F2N4 — CID 112863930

IUPAC4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1cccc(F)c1Nc1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C17H20F2N4/c18-13-8-5-9-14(19)17(13)23-16-10-15(20-11-21-16)22-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H2,20,21,22,23)
InChIKeyZFDGWUHEFLZRIR-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.63
Rot. Bonds4

About 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine

4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112863930) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
PubChem CID112863930
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1cccc(F)c1Nc1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C17H20F2N4/c18-13-8-5-9-14(19)17(13)23-16-10-15(20-11-21-16)22-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H2,20,21,22,23)
InChIKeyZFDGWUHEFLZRIR-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112855977
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865260
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
4-N-cycloheptyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112863913

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine (CID 112863930) is 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine is Fc1cccc(F)c1Nc1cc(NC2CCCCCC2)ncn1.
What is the InChIKey of 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is ZFDGWUHEFLZRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-13-8-5-9-14(19)17(13)23-16-10-15(20-11-21-16)22-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H2,20,21,22,23).
What are the key properties of 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine?
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 318.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).