N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine

C13H22ClN3 — CID 63388681

IUPACN-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCCCl)C(C)C)ncn1
InChIInChI=1S/C13H22ClN3/c1-4-6-12-9-13(16-10-15-12)17(11(2)3)8-5-7-14/h9-11H,4-8H2,1-3H3
InChIKeyGDERKXXZKREVKX-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.27
Rot. Bonds7

About N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine

N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine (PubChem CID 63388681) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
PubChem CID63388681
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CCCCl)C(C)C)ncn1
InChIInChI=1S/C13H22ClN3/c1-4-6-12-9-13(16-10-15-12)17(11(2)3)8-5-7-14/h9-11H,4-8H2,1-3H3
InChIKeyGDERKXXZKREVKX-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.27
H-Bond Donors ≤ 50
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-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine (CID 63388681) is N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine is CCCc1cc(N(CCCCl)C(C)C)ncn1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
The InChIKey is GDERKXXZKREVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-6-12-9-13(16-10-15-12)17(11(2)3)8-5-7-14/h9-11H,4-8H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63388681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).