4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine

C10H15N3O — CID 115628502

IUPAC4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
SMILESC/C=C/CCNc1nccc(OC)n1
InChIInChI=1S/C10H15N3O/c1-3-4-5-7-11-10-12-8-6-9(13-10)14-2/h3-4,6,8H,5,7H2,1-2H3,(H,11,12,13)/b4-3+
InChIKeyRMUOODPXAPGTHY-ONEGZZNKSA-N
MW193.25 g/mol
LogP1.86
Rot. Bonds5

About 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine

4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine (PubChem CID 115628502) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
PubChem CID115628502
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
SMILESC/C=C/CCNc1nccc(OC)n1
InChIInChI=1S/C10H15N3O/c1-3-4-5-7-11-10-12-8-6-9(13-10)14-2/h3-4,6,8H,5,7H2,1-2H3,(H,11,12,13)/b4-3+
InChIKeyRMUOODPXAPGTHY-ONEGZZNKSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.86
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

4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine (CID 115628502) is 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine is C/C=C/CCNc1nccc(OC)n1.
What is the InChIKey of 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
The InChIKey is RMUOODPXAPGTHY-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-5-7-11-10-12-8-6-9(13-10)14-2/h3-4,6,8H,5,7H2,1-2H3,(H,11,12,13)/b4-3+.
What are the key properties of 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine has a molecular weight of 193.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine is sourced from PubChem (CID 115628502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).