6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine

C16H29N5 — CID 80941716

IUPAC6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC2CCCN(CC)C2)n1
InChIInChI=1S/C16H29N5/c1-4-8-14-19-15(17-5-2)11-16(20-14)18-13-9-7-10-21(6-3)12-13/h11,13H,4-10,12H2,1-3H3,(H2,17,18,19,20)
InChIKeyALTRSQOWSVTAKT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.76
Rot. Bonds7

About 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80941716) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
PubChem CID80941716
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC2CCCN(CC)C2)n1
InChIInChI=1S/C16H29N5/c1-4-8-14-19-15(17-5-2)11-16(20-14)18-13-9-7-10-21(6-3)12-13/h11,13H,4-10,12H2,1-3H3,(H2,17,18,19,20)
InChIKeyALTRSQOWSVTAKT-UHFFFAOYSA-N
XLogP2.76
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961869
6-hydrazinyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80947154
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
2-N-(1-ethylpiperidin-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80800932
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 114506472
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine (CID 80941716) is 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NC2CCCN(CC)C2)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is ALTRSQOWSVTAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-8-14-19-15(17-5-2)11-16(20-14)18-13-9-7-10-21(6-3)12-13/h11,13H,4-10,12H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).