6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

C14H15ClFN3O — CID 82463163

IUPAC6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C14H15ClFN3O/c1-20-9-14-18-12(15)8-13(19-14)17-7-6-10-2-4-11(16)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyQMYGUOXDQQKPJE-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.07
Rot. Bonds6

About 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine

6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82463163) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID82463163
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C14H15ClFN3O/c1-20-9-14-18-12(15)8-13(19-14)17-7-6-10-2-4-11(16)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyQMYGUOXDQQKPJE-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 107530548
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341586
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine (CID 82463163) is 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(Cl)cc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is QMYGUOXDQQKPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-20-9-14-18-12(15)8-13(19-14)17-7-6-10-2-4-11(16)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine?
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82463163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).