6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine

C12H12ClFN4 — CID 31537803

IUPAC6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C12H12ClFN4/c13-10-7-11(18-12(15)17-10)16-6-5-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H3,15,16,17,18)
InChIKeyDNVWLNJPPUDIKK-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.51
Rot. Bonds4

About 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 31537803) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID31537803
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C12H12ClFN4/c13-10-7-11(18-12(15)17-10)16-6-5-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H3,15,16,17,18)
InChIKeyDNVWLNJPPUDIKK-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 80936245
6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80954051
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873963
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-chloropyrimidine-2,4-diamine
CID 31537868
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 104695947

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 31537803) is 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCCc2ccccc2F)n1.
What is the InChIKey of 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is DNVWLNJPPUDIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c13-10-7-11(18-12(15)17-10)16-6-5-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H3,15,16,17,18).
What are the key properties of 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 266.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 31537803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).