5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C12H14N4O — CID 10537435

IUPAC5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1Cc1cnc(N)nc1N
InChIInChI=1S/C12H14N4O/c1-17-10-5-3-2-4-8(10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
InChIKeyNIFKTKFMMVWORC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.24
Rot. Bonds3

About 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10537435) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10537435
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1Cc1cnc(N)nc1N
InChIInChI=1S/C12H14N4O/c1-17-10-5-3-2-4-8(10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
InChIKeyNIFKTKFMMVWORC-UHFFFAOYSA-N
XLogP1.24
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10537435) is 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1Cc1cnc(N)nc1N.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NIFKTKFMMVWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-10-5-3-2-4-8(10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16).
What are the key properties of 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10537435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).