2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine

C13H24N4 — CID 80775316

IUPAC2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1cc(C)nc(NCC)n1)C(C)C
InChIInChI=1S/C13H24N4/c1-6-8-17(10(3)4)12-9-11(5)15-13(16-12)14-7-2/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyRZWSTZAJSOOFFH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds6

About 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80775316) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80775316
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1cc(C)nc(NCC)n1)C(C)C
InChIInChI=1S/C13H24N4/c1-6-8-17(10(3)4)12-9-11(5)15-13(16-12)14-7-2/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyRZWSTZAJSOOFFH-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80811463
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808333
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806362
6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
2-hydrazinyl-6-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904244
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
CID 114768874
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80818316

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine (CID 80775316) is 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine is CCCN(c1cc(C)nc(NCC)n1)C(C)C.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is RZWSTZAJSOOFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-8-17(10(3)4)12-9-11(5)15-13(16-12)14-7-2/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80775316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).