2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C14H16ClFN4 — CID 134699655

IUPAC2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(NCc2c(F)cccc2Cl)nc1N(C)C
InChIInChI=1S/C14H16ClFN4/c1-9-7-17-14(19-13(9)20(2)3)18-8-10-11(15)5-4-6-12(10)16/h4-7H,8H2,1-3H3,(H,17,18,19)
InChIKeyOVCXZXJZSHFODW-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.26
Rot. Bonds4

About 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 134699655) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID134699655
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(NCc2c(F)cccc2Cl)nc1N(C)C
InChIInChI=1S/C14H16ClFN4/c1-9-7-17-14(19-13(9)20(2)3)18-8-10-11(15)5-4-6-12(10)16/h4-7H,8H2,1-3H3,(H,17,18,19)
InChIKeyOVCXZXJZSHFODW-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
CID 90070689
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
2-chloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 174488816
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664744
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 134699655) is 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(NCc2c(F)cccc2Cl)nc1N(C)C.
What is the InChIKey of 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is OVCXZXJZSHFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-9-7-17-14(19-13(9)20(2)3)18-8-10-11(15)5-4-6-12(10)16/h4-7H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 294.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 134699655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).