2-N,4-N,4-N-triethylpyrimidine-2,4-diamine

C10H18N4 — CID 80766535

IUPAC2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC)CC)n1
InChIInChI=1S/C10H18N4/c1-4-11-10-12-8-7-9(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyBJBOEAXFHMQNHE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.75
Rot. Bonds5

About 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine

2-N,4-N,4-N-triethylpyrimidine-2,4-diamine (PubChem CID 80766535) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
PubChem CID80766535
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC)CC)n1
InChIInChI=1S/C10H18N4/c1-4-11-10-12-8-7-9(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyBJBOEAXFHMQNHE-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80792942
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799138
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557123
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine (CID 80766535) is 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine is CCNc1nccc(N(CC)CC)n1.
What is the InChIKey of 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine?
The InChIKey is BJBOEAXFHMQNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-11-10-12-8-7-9(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine?
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-triethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80766535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).