N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine

C14H23N3O — CID 82456448

IUPACN-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
SMILESCCCCNc1cc(OCCC)nc(C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-3-5-8-15-12-10-13(18-9-4-2)17-14(16-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyKUWSJGLZKJMHHZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.35
Rot. Bonds8

About N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine

N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine (PubChem CID 82456448) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
PubChem CID82456448
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
SMILESCCCCNc1cc(OCCC)nc(C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-3-5-8-15-12-10-13(18-9-4-2)17-14(16-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyKUWSJGLZKJMHHZ-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine?
The IUPAC name of N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine (CID 82456448) is N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine is CCCCNc1cc(OCCC)nc(C2CC2)n1.
What is the InChIKey of N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine?
The InChIKey is KUWSJGLZKJMHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-8-15-12-10-13(18-9-4-2)17-14(16-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine?
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82456448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).