2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

C17H24N4 — CID 112916376

IUPAC2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(NCc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-21(6-2)17-19-14(4)11-16(20-17)18-12-15-9-7-13(3)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,18,19,20)
InChIKeyDLDBPNLDABVKLP-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.55
Rot. Bonds6

About 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112916376) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112916376
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(NCc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-21(6-2)17-19-14(4)11-16(20-17)18-12-15-9-7-13(3)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,18,19,20)
InChIKeyDLDBPNLDABVKLP-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112916376) is 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is CCN(CC)c1nc(C)cc(NCc2ccc(C)cc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DLDBPNLDABVKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-21(6-2)17-19-14(4)11-16(20-17)18-12-15-9-7-13(3)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,18,19,20).
What are the key properties of 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112916376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).