1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine

C6H7ClFN3 — CID 163623613

IUPAC1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1ncnc(F)c1Cl
InChIInChI=1S/C6H7ClFN3/c1-9-2-4-5(7)6(8)11-3-10-4/h3,9H,2H2,1H3
InChIKeyHQFPPEUJGRZMRM-UHFFFAOYSA-N
MW175.59 g/mol
LogP0.99
Rot. Bonds2

About 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine

1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine (PubChem CID 163623613) has the molecular formula C6H7ClFN3 and a molecular weight of 175.59 g/mol. Its IUPAC name is 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine
PubChem CID163623613
Molecular FormulaC6H7ClFN3
Molecular Weight175.59 g/mol
Exact Mass175.03
IUPAC Name1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1ncnc(F)c1Cl
InChIInChI=1S/C6H7ClFN3/c1-9-2-4-5(7)6(8)11-3-10-4/h3,9H,2H2,1H3
InChIKeyHQFPPEUJGRZMRM-UHFFFAOYSA-N
XLogP0.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)methanamine
CID 83846331
1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 82654656
4,5-dichloro-6-ethylpyrimidine
CID 11137668
1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine
CID 171436816
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 118667304
2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile
CID 84768646
2-chloro-4-fluoro-3-(methylaminomethyl)phenol
CID 84771303
1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine
CID 130116038
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
1-(5-chloroimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
CID 83869471
1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-N-methylmethanamine
CID 83879673
6-fluoro-5-methylpyrimidin-4-amine
CID 44558106

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine (CID 163623613) is 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine is CNCc1ncnc(F)c1Cl.
What is the InChIKey of 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is HQFPPEUJGRZMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3/c1-9-2-4-5(7)6(8)11-3-10-4/h3,9H,2H2,1H3.
What are the key properties of 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine?
1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 175.59 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 163623613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).