N,N-dibutyl-6-fluoropyrimidin-4-amine

C12H20FN3 — CID 115416258

IUPACN,N-dibutyl-6-fluoropyrimidin-4-amine
SMILESCCCCN(CCCC)c1cc(F)ncn1
InChIInChI=1S/C12H20FN3/c1-3-5-7-16(8-6-4-2)12-9-11(13)14-10-15-12/h9-10H,3-8H2,1-2H3
InChIKeyHGNRCXQMMYMUNJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.02
Rot. Bonds7

About N,N-dibutyl-6-fluoropyrimidin-4-amine

N,N-dibutyl-6-fluoropyrimidin-4-amine (PubChem CID 115416258) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is N,N-dibutyl-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-fluoropyrimidin-4-amine
PubChem CID115416258
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC NameN,N-dibutyl-6-fluoropyrimidin-4-amine
SMILESCCCCN(CCCC)c1cc(F)ncn1
InChIInChI=1S/C12H20FN3/c1-3-5-7-16(8-6-4-2)12-9-11(13)14-10-15-12/h9-10H,3-8H2,1-2H3
InChIKeyHGNRCXQMMYMUNJ-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
N-ethyl-6-fluoro-N-propylpyrimidin-4-amine
CID 115416478
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
CID 82960073
N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973654
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456
N-butyl-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109354737
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
N,N-dibutyl-4-(chloromethyl)pyridin-2-amine
CID 63445297
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 66318967
2-[butyl-(6-fluoro-2-pyridinyl)amino]ethanol
CID 61447347
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-fluoropyrimidin-4-amine?
The IUPAC name of N,N-dibutyl-6-fluoropyrimidin-4-amine (CID 115416258) is N,N-dibutyl-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N,N-dibutyl-6-fluoropyrimidin-4-amine?
The canonical SMILES for N,N-dibutyl-6-fluoropyrimidin-4-amine is CCCCN(CCCC)c1cc(F)ncn1.
What is the InChIKey of N,N-dibutyl-6-fluoropyrimidin-4-amine?
The InChIKey is HGNRCXQMMYMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-3-5-7-16(8-6-4-2)12-9-11(13)14-10-15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-6-fluoropyrimidin-4-amine?
N,N-dibutyl-6-fluoropyrimidin-4-amine has a molecular weight of 225.31 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).