6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine

C15H25N3O — CID 82458102

IUPAC6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(OCCCC)nc(CC(C)C)n1
InChIInChI=1S/C15H25N3O/c1-5-7-9-19-15-11-13(16-8-6-2)17-14(18-15)10-12(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,16,17,18)
InChIKeyAOLLAKAEYDPOJR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.45
Rot. Bonds9

About 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine

6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine (PubChem CID 82458102) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine
PubChem CID82458102
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(OCCCC)nc(CC(C)C)n1
InChIInChI=1S/C15H25N3O/c1-5-7-9-19-15-11-13(16-8-6-2)17-14(18-15)10-12(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,16,17,18)
InChIKeyAOLLAKAEYDPOJR-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine
CID 82453959
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
CID 82454405
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
CID 82457973

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine (CID 82458102) is 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(OCCCC)nc(CC(C)C)n1.
What is the InChIKey of 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is AOLLAKAEYDPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-7-9-19-15-11-13(16-8-6-2)17-14(18-15)10-12(3)4/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,16,17,18).
What are the key properties of 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine?
6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 82458102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).