4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine

C11H18N4O — CID 112882663

IUPAC4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nccc(NCCCOC)n1
InChIInChI=1S/C11H18N4O/c1-3-6-13-11-14-8-5-10(15-11)12-7-4-9-16-2/h3,5,8H,1,4,6-7,9H2,2H3,(H2,12,13,14,15)
InChIKeyBZJOXVYPRACYFV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.52
Rot. Bonds8

About 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112882663) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112882663
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nccc(NCCCOC)n1
InChIInChI=1S/C11H18N4O/c1-3-6-13-11-14-8-5-10(15-11)12-7-4-9-16-2/h3,5,8H,1,4,6-7,9H2,2H3,(H2,12,13,14,15)
InChIKeyBZJOXVYPRACYFV-UHFFFAOYSA-N
XLogP1.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882695
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112885370
3-N-(3-methoxypropyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939491
2-N-(3,4-dimethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886076
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112882663) is 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nccc(NCCCOC)n1.
What is the InChIKey of 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is BZJOXVYPRACYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-6-13-11-14-8-5-10(15-11)12-7-4-9-16-2/h3,5,8H,1,4,6-7,9H2,2H3,(H2,12,13,14,15).
What are the key properties of 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).