4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine

C12H14N4O — CID 79918567

IUPAC4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
SMILESCOc1cccc(N(C)c2ncncc2N)c1
InChIInChI=1S/C12H14N4O/c1-16(12-11(13)7-14-8-15-12)9-4-3-5-10(6-9)17-2/h3-8H,13H2,1-2H3
InChIKeySKEQZPYPXJLTJY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.84
Rot. Bonds3

About 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine

4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine (PubChem CID 79918567) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
PubChem CID79918567
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
SMILESCOc1cccc(N(C)c2ncncc2N)c1
InChIInChI=1S/C12H14N4O/c1-16(12-11(13)7-14-8-15-12)9-4-3-5-10(6-9)17-2/h3-8H,13H2,1-2H3
InChIKeySKEQZPYPXJLTJY-UHFFFAOYSA-N
XLogP1.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine (CID 79918567) is 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine is COc1cccc(N(C)c2ncncc2N)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is SKEQZPYPXJLTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(12-11(13)7-14-8-15-12)9-4-3-5-10(6-9)17-2/h3-8H,13H2,1-2H3.
What are the key properties of 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine?
4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 79918567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).