5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C12H14N4 — CID 14999846

IUPAC5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C12H14N4/c1-8-3-2-4-9(5-8)6-10-7-15-12(14)16-11(10)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
InChIKeyRWFMFIBVNGVPBZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.54
Rot. Bonds2

About 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14999846) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14999846
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C12H14N4/c1-8-3-2-4-9(5-8)6-10-7-15-12(14)16-11(10)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
InChIKeyRWFMFIBVNGVPBZ-UHFFFAOYSA-N
XLogP1.54
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 14999846) is 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cccc(Cc2cnc(N)nc2N)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RWFMFIBVNGVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-3-2-4-9(5-8)6-10-7-15-12(14)16-11(10)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16).
What are the key properties of 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).