2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine

C12H22N4 — CID 80783451

IUPAC2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCN(C)c1ccnc(NCC)n1
InChIInChI=1S/C12H22N4/c1-4-6-7-10-16(3)11-8-9-14-12(15-11)13-5-2/h8-9H,4-7,10H2,1-3H3,(H,13,14,15)
InChIKeyOSTOKYPDACSWEF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.53
Rot. Bonds7

About 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 80783451) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
PubChem CID80783451
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCN(C)c1ccnc(NCC)n1
InChIInChI=1S/C12H22N4/c1-4-6-7-10-16(3)11-8-9-14-12(15-11)13-5-2/h8-9H,4-7,10H2,1-3H3,(H,13,14,15)
InChIKeyOSTOKYPDACSWEF-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076
4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112900569
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 112900671
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80792942
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564013

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine (CID 80783451) is 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine is CCCCCN(C)c1ccnc(NCC)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is OSTOKYPDACSWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-6-7-10-16(3)11-8-9-14-12(15-11)13-5-2/h8-9H,4-7,10H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 80783451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).