6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine

C15H27N3O2 — CID 82454415

IUPAC6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
SMILESCCCCOc1cc(NCCCOC)nc(CCC)n1
InChIInChI=1S/C15H27N3O2/c1-4-6-11-20-15-12-14(16-9-7-10-19-3)17-13(18-15)8-5-2/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyAPBSWLAUEHPUKN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds11

About 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine

6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine (PubChem CID 82454415) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
PubChem CID82454415
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
SMILESCCCCOc1cc(NCCCOC)nc(CCC)n1
InChIInChI=1S/C15H27N3O2/c1-4-6-11-20-15-12-14(16-9-7-10-19-3)17-13(18-15)8-5-2/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyAPBSWLAUEHPUKN-UHFFFAOYSA-N
XLogP3.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
CID 82454405
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine (CID 82454415) is 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine is CCCCOc1cc(NCCCOC)nc(CCC)n1.
What is the InChIKey of 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine?
The InChIKey is APBSWLAUEHPUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-6-11-20-15-12-14(16-9-7-10-19-3)17-13(18-15)8-5-2/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine?
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82454415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).