N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine

C9H12FN3 — CID 115416489

IUPACN-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
SMILESFc1cc(NCC2CCC2)ncn1
InChIInChI=1S/C9H12FN3/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-7/h4,6-7H,1-3,5H2,(H,11,12,13)
InChIKeyYARIDUYQVULYMY-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.83
Rot. Bonds3

About N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine

N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416489) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
PubChem CID115416489
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
SMILESFc1cc(NCC2CCC2)ncn1
InChIInChI=1S/C9H12FN3/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-7/h4,6-7H,1-3,5H2,(H,11,12,13)
InChIKeyYARIDUYQVULYMY-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 115417135
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
CID 114156479
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
CID 126849132
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
CID 115263895
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
CID 115263991
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine (CID 115416489) is N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine is Fc1cc(NCC2CCC2)ncn1.
What is the InChIKey of N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine?
The InChIKey is YARIDUYQVULYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-7/h4,6-7H,1-3,5H2,(H,11,12,13).
What are the key properties of N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine?
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).