N-(2-chloropentan-3-yl)pyrimidin-4-amine

C9H14ClN3 — CID 131162695

IUPACN-(2-chloropentan-3-yl)pyrimidin-4-amine
SMILESCCC(Nc1ccncn1)C(C)Cl
InChIInChI=1S/C9H14ClN3/c1-3-8(7(2)10)13-9-4-5-11-6-12-9/h4-8H,3H2,1-2H3,(H,11,12,13)
InChIKeyBOWMGIPUJCAOAM-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.29
Rot. Bonds4

About N-(2-chloropentan-3-yl)pyrimidin-4-amine

N-(2-chloropentan-3-yl)pyrimidin-4-amine (PubChem CID 131162695) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(2-chloropentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloropentan-3-yl)pyrimidin-4-amine
PubChem CID131162695
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(2-chloropentan-3-yl)pyrimidin-4-amine
SMILESCCC(Nc1ccncn1)C(C)Cl
InChIInChI=1S/C9H14ClN3/c1-3-8(7(2)10)13-9-4-5-11-6-12-9/h4-8H,3H2,1-2H3,(H,11,12,13)
InChIKeyBOWMGIPUJCAOAM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropentan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-chloropentan-3-yl)pyrimidin-4-amine (CID 131162695) is N-(2-chloropentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloropentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-chloropentan-3-yl)pyrimidin-4-amine is CCC(Nc1ccncn1)C(C)Cl.
What is the InChIKey of N-(2-chloropentan-3-yl)pyrimidin-4-amine?
The InChIKey is BOWMGIPUJCAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-8(7(2)10)13-9-4-5-11-6-12-9/h4-8H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2-chloropentan-3-yl)pyrimidin-4-amine?
N-(2-chloropentan-3-yl)pyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 131162695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).