4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine

C14H18N4 — CID 80980993

IUPAC4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-12-17-13(15)10(2)14(18-12)16-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyRWIUCELGUZZWJU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.54
Rot. Bonds4

About 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80980993) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80980993
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-12-17-13(15)10(2)14(18-12)16-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,15,16,17,18)
InChIKeyRWIUCELGUZZWJU-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80983795
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
2-ethyl-5-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80985493
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80980993) is 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is RWIUCELGUZZWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-12-17-13(15)10(2)14(18-12)16-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).