4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine

C10H16N4O — CID 112882662

IUPAC4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nccc(NCCOC)n1
InChIInChI=1S/C10H16N4O/c1-3-5-12-10-13-6-4-9(14-10)11-7-8-15-2/h3-4,6H,1,5,7-8H2,2H3,(H2,11,12,13,14)
InChIKeyRLBLABZUSUGTHW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.13
Rot. Bonds7

About 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112882662) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112882662
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nccc(NCCOC)n1
InChIInChI=1S/C10H16N4O/c1-3-5-12-10-13-6-4-9(14-10)11-7-8-15-2/h3-4,6H,1,5,7-8H2,2H3,(H2,11,12,13,14)
InChIKeyRLBLABZUSUGTHW-UHFFFAOYSA-N
XLogP1.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.13
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-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
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
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
4-N-[(4-chlorophenyl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885863
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
4-N-[(4-fluorophenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882681
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
methyl 4-[[2-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate
CID 112882760

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112882662) is 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nccc(NCCOC)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is RLBLABZUSUGTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-5-12-10-13-6-4-9(14-10)11-7-8-15-2/h3-4,6H,1,5,7-8H2,2H3,(H2,11,12,13,14).
What are the key properties of 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 208.26 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).