N-butyl-4-chloro-6-methylpyrimidin-2-amine

C9H14ClN3 — CID 19792070

IUPACN-butyl-4-chloro-6-methylpyrimidin-2-amine
SMILESCCCCNc1nc(C)cc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-3-4-5-11-9-12-7(2)6-8(10)13-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyIKNJTAQJUKGGOU-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.65
Rot. Bonds4

About N-butyl-4-chloro-6-methylpyrimidin-2-amine

N-butyl-4-chloro-6-methylpyrimidin-2-amine (PubChem CID 19792070) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-butyl-4-chloro-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-chloro-6-methylpyrimidin-2-amine
PubChem CID19792070
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-butyl-4-chloro-6-methylpyrimidin-2-amine
SMILESCCCCNc1nc(C)cc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-3-4-5-11-9-12-7(2)6-8(10)13-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyIKNJTAQJUKGGOU-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-6-methylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-chloro-6-methylpyrimidin-2-amine (CID 19792070) is N-butyl-4-chloro-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-chloro-6-methylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-chloro-6-methylpyrimidin-2-amine is CCCCNc1nc(C)cc(Cl)n1.
What is the InChIKey of N-butyl-4-chloro-6-methylpyrimidin-2-amine?
The InChIKey is IKNJTAQJUKGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-4-5-11-9-12-7(2)6-8(10)13-9/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-butyl-4-chloro-6-methylpyrimidin-2-amine?
N-butyl-4-chloro-6-methylpyrimidin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-6-methylpyrimidin-2-amine is sourced from PubChem (CID 19792070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).