4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine

C16H23N5 — CID 80757098

IUPAC4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(Cc2ccccc2)C(C)C)nc(N)n1
InChIInChI=1S/C16H23N5/c1-4-18-14-10-15(20-16(17)19-14)21(12(2)3)11-13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H3,17,18,19,20)
InChIKeyOYNPWDARNSAPJW-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.91
Rot. Bonds6

About 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine

4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine (PubChem CID 80757098) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
PubChem CID80757098
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(Cc2ccccc2)C(C)C)nc(N)n1
InChIInChI=1S/C16H23N5/c1-4-18-14-10-15(20-16(17)19-14)21(12(2)3)11-13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H3,17,18,19,20)
InChIKeyOYNPWDARNSAPJW-UHFFFAOYSA-N
XLogP2.91
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872608
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine (CID 80757098) is 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine is CCNc1cc(N(Cc2ccccc2)C(C)C)nc(N)n1.
What is the InChIKey of 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The InChIKey is OYNPWDARNSAPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-18-14-10-15(20-16(17)19-14)21(12(2)3)11-13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine has a molecular weight of 285.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80757098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).