N-butyl-6-fluoro-N-methylpyrimidin-4-amine

C9H14FN3 — CID 115416253

IUPACN-butyl-6-fluoro-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(F)ncn1
InChIInChI=1S/C9H14FN3/c1-3-4-5-13(2)9-6-8(10)11-7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyXGTCVGUFBCZZFJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.85
Rot. Bonds4

About N-butyl-6-fluoro-N-methylpyrimidin-4-amine

N-butyl-6-fluoro-N-methylpyrimidin-4-amine (PubChem CID 115416253) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-butyl-6-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-fluoro-N-methylpyrimidin-4-amine
PubChem CID115416253
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-butyl-6-fluoro-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(F)ncn1
InChIInChI=1S/C9H14FN3/c1-3-4-5-13(2)9-6-8(10)11-7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyXGTCVGUFBCZZFJ-UHFFFAOYSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-6-fluoropyrimidin-4-amine
CID 115416258
6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
N-ethyl-6-fluoro-N-propylpyrimidin-4-amine
CID 115416478
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 115416967
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
CID 82960073
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-fluoro-N-methylpyrimidin-4-amine (CID 115416253) is N-butyl-6-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-fluoro-N-methylpyrimidin-4-amine is CCCCN(C)c1cc(F)ncn1.
What is the InChIKey of N-butyl-6-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is XGTCVGUFBCZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-3-4-5-13(2)9-6-8(10)11-7-12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-6-fluoro-N-methylpyrimidin-4-amine?
N-butyl-6-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 183.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115416253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).