2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

C12H22N4 — CID 80792942

IUPAC2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C(CC)CC)n1
InChIInChI=1S/C12H22N4/c1-5-10(6-2)16(4)11-8-9-14-12(15-11)13-7-3/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeySJKZXEKDURJNBY-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.53
Rot. Bonds6

About 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (PubChem CID 80792942) 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-pentan-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
PubChem CID80792942
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)C(CC)CC)n1
InChIInChI=1S/C12H22N4/c1-5-10(6-2)16(4)11-8-9-14-12(15-11)13-7-3/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeySJKZXEKDURJNBY-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557123
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80817458
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (CID 80792942) is 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is CCNc1nccc(N(C)C(CC)CC)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The InChIKey is SJKZXEKDURJNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10(6-2)16(4)11-8-9-14-12(15-11)13-7-3/h8-10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.53, 6 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-pentan-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80792942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).