6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine

C19H28N4 — CID 112875670

IUPAC6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(N(CC)CC)nc(C)n1
InChIInChI=1S/C19H28N4/c1-6-15-11-10-12-16(7-2)19(15)22-17-13-18(21-14(5)20-17)23(8-3)9-4/h10-13H,6-9H2,1-5H3,(H,20,21,22)
InChIKeySFEQFYHEMHQUSX-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.50
Rot. Bonds7

About 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine

6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112875670) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
PubChem CID112875670
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(N(CC)CC)nc(C)n1
InChIInChI=1S/C19H28N4/c1-6-15-11-10-12-16(7-2)19(15)22-17-13-18(21-14(5)20-17)23(8-3)9-4/h10-13H,6-9H2,1-5H3,(H,20,21,22)
InChIKeySFEQFYHEMHQUSX-UHFFFAOYSA-N
XLogP4.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diethyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875669
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867547
6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875723
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875657
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112872603
2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112875748
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine (CID 112875670) is 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine is CCc1cccc(CC)c1Nc1cc(N(CC)CC)nc(C)n1.
What is the InChIKey of 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is SFEQFYHEMHQUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-6-15-11-10-12-16(7-2)19(15)22-17-13-18(21-14(5)20-17)23(8-3)9-4/h10-13H,6-9H2,1-5H3,(H,20,21,22).
What are the key properties of 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine?
6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).