4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine

C11H17N3O — CID 112637443

IUPAC4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
SMILESC=CCNc1nc(C)cc(OCCC)n1
InChIInChI=1S/C11H17N3O/c1-4-6-12-11-13-9(3)8-10(14-11)15-7-5-2/h4,8H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyUIYGYKFPQQECKO-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.17
Rot. Bonds6

About 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine

4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine (PubChem CID 112637443) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
PubChem CID112637443
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
SMILESC=CCNc1nc(C)cc(OCCC)n1
InChIInChI=1S/C11H17N3O/c1-4-6-12-11-13-9(3)8-10(14-11)15-7-5-2/h4,8H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyUIYGYKFPQQECKO-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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

2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106374140
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 115974987
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine (CID 112637443) is 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine is C=CCNc1nc(C)cc(OCCC)n1.
What is the InChIKey of 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine?
The InChIKey is UIYGYKFPQQECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-6-12-11-13-9(3)8-10(14-11)15-7-5-2/h4,8H,1,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine?
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).