N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine

C11H17ClFN3 — CID 106154753

IUPACN-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCCCC(C)CCl)c1F
InChIInChI=1S/C11H17ClFN3/c1-8(6-12)4-3-5-14-11-10(13)9(2)15-7-16-11/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyGLRVQBNGHBUDIY-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.99
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 106154753) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID106154753
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC NameN-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCCCC(C)CCl)c1F
InChIInChI=1S/C11H17ClFN3/c1-8(6-12)4-3-5-14-11-10(13)9(2)15-7-16-11/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyGLRVQBNGHBUDIY-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106154550
5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
CID 113413399
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
N-(5-chloro-4-methylpentyl)-1,3,4-thiadiazol-2-amine
CID 106154566
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 114045681

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 106154753) is N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NCCCC(C)CCl)c1F.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is GLRVQBNGHBUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-8(6-12)4-3-5-14-11-10(13)9(2)15-7-16-11/h7-8H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 245.73 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 106154753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).