4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C15H20N4 — CID 115265529

IUPAC4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc(C)cc2C)ncn1
InChIInChI=1S/C15H20N4/c1-11-5-6-13(12(2)7-11)9-19(4)15-8-14(16-3)17-10-18-15/h5-8,10H,9H2,1-4H3,(H,16,17,18)
InChIKeyREHAHNXJEUXRAO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds4

About 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 115265529) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID115265529
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc(C)cc2C)ncn1
InChIInChI=1S/C15H20N4/c1-11-5-6-13(12(2)7-11)9-19(4)15-8-14(16-3)17-10-18-15/h5-8,10H,9H2,1-4H3,(H,16,17,18)
InChIKeyREHAHNXJEUXRAO-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265534
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 115147167
4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80839702
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
4-N,6-N-dimethyl-4-N-(2,4,5-trimethylphenyl)pyrimidine-4,6-diamine
CID 115265462
4-N-(2-methoxy-5-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265440
4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265541
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288
4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 115265529) is 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccc(C)cc2C)ncn1.
What is the InChIKey of 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is REHAHNXJEUXRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-5-6-13(12(2)7-11)9-19(4)15-8-14(16-3)17-10-18-15/h5-8,10H,9H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).