N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine

C11H17N3O — CID 80950558

IUPACN-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
SMILESC=CCOc1cc(NC)nc(CCC)n1
InChIInChI=1S/C11H17N3O/c1-4-6-9-13-10(12-3)8-11(14-9)15-7-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,12,13,14)
InChIKeyYKBLZVYPCQWOIW-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine

N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine (PubChem CID 80950558) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
PubChem CID80950558
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
SMILESC=CCOc1cc(NC)nc(CCC)n1
InChIInChI=1S/C11H17N3O/c1-4-6-9-13-10(12-3)8-11(14-9)15-7-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,12,13,14)
InChIKeyYKBLZVYPCQWOIW-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine
CID 82453959
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560
N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
CID 80950076
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine (CID 80950558) is N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine is C=CCOc1cc(NC)nc(CCC)n1.
What is the InChIKey of N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine?
The InChIKey is YKBLZVYPCQWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-6-9-13-10(12-3)8-11(14-9)15-7-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,12,13,14).
What are the key properties of N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine?
N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).