2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine

C14H15ClFN3 — CID 82460814

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2ccccc2F)nc(Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-2-5-11-8-13(19-14(15)18-11)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H,17,18,19)
InChIKeySFBGKGFZGXBUQS-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.83
Rot. Bonds5

About 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine

2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 82460814) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
PubChem CID82460814
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2ccccc2F)nc(Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-2-5-11-8-13(19-14(15)18-11)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H,17,18,19)
InChIKeySFBGKGFZGXBUQS-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
2-chloro-N-octyl-6-propylpyrimidin-4-amine
CID 82460778
2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine
CID 82460808
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
N-[(2-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 154583347
6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione
CID 82457358
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]phenol
CID 53250725
2-tert-butyl-4-N-[(2-fluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80955396
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 93214219
6-ethyl-N-[(2-fluorophenyl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 51120770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine (CID 82460814) is 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine is CCCc1cc(NCc2ccccc2F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is SFBGKGFZGXBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-5-11-8-13(19-14(15)18-11)17-9-10-6-3-4-7-12(10)16/h3-4,6-8H,2,5,9H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine?
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 82460814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).