6-(2-methylpropoxy)-N-propylpyrimidin-4-amine

C11H19N3O — CID 80860454

IUPAC6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCC(C)C)ncn1
InChIInChI=1S/C11H19N3O/c1-4-5-12-10-6-11(14-8-13-10)15-7-9(2)3/h6,8-9H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyMHEHGIULDVYBRQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds6

About 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine

6-(2-methylpropoxy)-N-propylpyrimidin-4-amine (PubChem CID 80860454) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
PubChem CID80860454
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCC(C)C)ncn1
InChIInChI=1S/C11H19N3O/c1-4-5-12-10-6-11(14-8-13-10)15-7-9(2)3/h6,8-9H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyMHEHGIULDVYBRQ-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 80858147
6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 82825468
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602
4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine (CID 80860454) is 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(OCC(C)C)ncn1.
What is the InChIKey of 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine?
The InChIKey is MHEHGIULDVYBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-12-10-6-11(14-8-13-10)15-7-9(2)3/h6,8-9H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine?
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80860454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).