4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine

C14H18N4 — CID 80765009

IUPAC4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(CN(C)c2ncnc(N)c2C)cc1
InChIInChI=1S/C14H18N4/c1-10-4-6-12(7-5-10)8-18(3)14-11(2)13(15)16-9-17-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17)
InChIKeyDNDOCWWGPVRLST-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.31
Rot. Bonds3

About 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80765009) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID80765009
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(CN(C)c2ncnc(N)c2C)cc1
InChIInChI=1S/C14H18N4/c1-10-4-6-12(7-5-10)8-18(3)14-11(2)13(15)16-9-17-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17)
InChIKeyDNDOCWWGPVRLST-UHFFFAOYSA-N
XLogP2.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 80765009) is 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1ccc(CN(C)c2ncnc(N)c2C)cc1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is DNDOCWWGPVRLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-4-6-12(7-5-10)8-18(3)14-11(2)13(15)16-9-17-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80765009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).