6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine

C18H23ClFN5 — CID 174482983

IUPAC6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
SMILESCN(C)C1CCC(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C18H23ClFN5/c1-25(2)14-6-3-12(4-7-14)23-17-10-18(22-11-21-17)24-13-5-8-16(20)15(19)9-13/h5,8-12,14H,3-4,6-7H2,1-2H3,(H2,21,22,23,24)
InChIKeyLFTFAKIAQARTGI-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.30
Rot. Bonds5

About 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine

6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine (PubChem CID 174482983) has the molecular formula C18H23ClFN5 and a molecular weight of 363.87 g/mol. Its IUPAC name is 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
PubChem CID174482983
Molecular FormulaC18H23ClFN5
Molecular Weight363.87 g/mol
Exact Mass363.16
IUPAC Name6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
SMILESCN(C)C1CCC(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C18H23ClFN5/c1-25(2)14-6-3-12(4-7-14)23-17-10-18(22-11-21-17)24-13-5-8-16(20)15(19)9-13/h5,8-12,14H,3-4,6-7H2,1-2H3,(H2,21,22,23,24)
InChIKeyLFTFAKIAQARTGI-UHFFFAOYSA-N
XLogP4.30
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
4-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexyl]morpholin-2-one
CID 70165183
methyl 2-[2-[[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexyl]sulfamoyl]ethylamino]acetate
CID 70209322
4-[[6-(3,4-dichloroanilino)pyrimidin-4-yl]amino]cyclohexan-1-one
CID 70345082
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
6-N-(3-chloro-4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864998
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112854840
N-(3-chloro-4-fluorophenyl)-6-[[4-(dimethylamino)cyclohexyl]methyl]-7-methylquinazolin-4-amine
CID 142811111
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
4-N-(3-chloro-4-fluorophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856757

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine (CID 174482983) is 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine is CN(C)C1CCC(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1.
What is the InChIKey of 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine?
The InChIKey is LFTFAKIAQARTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN5/c1-25(2)14-6-3-12(4-7-14)23-17-10-18(22-11-21-17)24-13-5-8-16(20)15(19)9-13/h5,8-12,14H,3-4,6-7H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine?
6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine has a molecular weight of 363.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 174482983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).