4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine

C13H16ClFN4 — CID 118567960

IUPAC4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine
SMILESCc1c(Cl)cccc1C1C=C(NCCF)NC(N)=N1
InChIInChI=1S/C13H16ClFN4/c1-8-9(3-2-4-10(8)14)11-7-12(17-6-5-15)19-13(16)18-11/h2-4,7,11,17H,5-6H2,1H3,(H3,16,18,19)
InChIKeyHRWSTLMBXDPZPE-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.01
Rot. Bonds4

About 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine

4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine (PubChem CID 118567960) has the molecular formula C13H16ClFN4 and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine
PubChem CID118567960
Molecular FormulaC13H16ClFN4
Molecular Weight282.75 g/mol
Exact Mass282.10
IUPAC Name4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine
SMILESCc1c(Cl)cccc1C1C=C(NCCF)NC(N)=N1
InChIInChI=1S/C13H16ClFN4/c1-8-9(3-2-4-10(8)14)11-7-12(17-6-5-15)19-13(16)18-11/h2-4,7,11,17H,5-6H2,1H3,(H3,16,18,19)
InChIKeyHRWSTLMBXDPZPE-UHFFFAOYSA-N
XLogP2.01
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N''-(7-Chloro-2,3-dihydro-1H-inden-1-yl)-N-cyano-N'-(2-fluoroethyl)guanidine
CID 25050757
1-(5-Chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-cyano-2-(2-fluoroethyl)guanidine
CID 25050926
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-cyano-2-(2-fluoroethyl)guanidine
CID 25050931
4-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyrimidine-2,5-diamine
CID 66720122
4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine
CID 69003724
4-(3-Chloro-4-fluorophenyl)-6-chloropyrimidin-4-ylamine
CID 86638089
1-(5-Chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-cyano-2-(2-fluoroethyl)guanidine
CID 87206124
4-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-6-N-methyl-1,4-dihydropyrimidine-2,6-diamine
CID 118567919
6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)-1,4-dihydropyrimidine-2,4-diamine
CID 118567972
4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)-1,4-dihydropyrimidine-2,4-diamine
CID 118567998
4-(2,3-dichlorophenyl)-6-N-(2,2,2-trifluoroethyl)-1,4-dihydropyrimidine-2,6-diamine
CID 118568059
6-N-[2-(4-chlorophenyl)ethyl]-4-(4-fluoro-2,5-dimethylphenyl)-1,4-dihydropyrimidine-2,6-diamine
CID 118568196

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine (CID 118567960) is 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine is Cc1c(Cl)cccc1C1C=C(NCCF)NC(N)=N1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine?
The InChIKey is HRWSTLMBXDPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN4/c1-8-9(3-2-4-10(8)14)11-7-12(17-6-5-15)19-13(16)18-11/h2-4,7,11,17H,5-6H2,1H3,(H3,16,18,19).
What are the key properties of 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine?
4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine has a molecular weight of 282.75 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-6-N-(2-fluoroethyl)-1,4-dihydropyrimidine-2,6-diamine is sourced from PubChem (CID 118567960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).