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

C16H29N5 — CID 80961869

IUPAC6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCN(CC)C2)nc(C(C)C)n1
InChIInChI=1S/C16H29N5/c1-5-17-14-10-15(20-16(19-14)12(3)4)18-13-8-7-9-21(6-2)11-13/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,19,20)
InChIKeyKCDCKUPQCYSXDG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.93
Rot. Bonds6

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

6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961869) 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-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961869
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCN(CC)C2)nc(C(C)C)n1
InChIInChI=1S/C16H29N5/c1-5-17-14-10-15(20-16(19-14)12(3)4)18-13-8-7-9-21(6-2)11-13/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,19,20)
InChIKeyKCDCKUPQCYSXDG-UHFFFAOYSA-N
XLogP2.93
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716
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-4-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 60667015
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959790
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
2-N-(1-ethylpiperidin-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80800932
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961869) is 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NC2CCCN(CC)C2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KCDCKUPQCYSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-17-14-10-15(20-16(19-14)12(3)4)18-13-8-7-9-21(6-2)11-13/h10,12-13H,5-9,11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.93, 6 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-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).