6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine

C17H24N6 — CID 19140543

IUPAC6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2ccc(C)cn2)c1N
InChIInChI=1S/C17H24N6/c1-3-13-6-4-5-9-23(13)17-15(18)16(20-11-21-17)22-14-8-7-12(2)10-19-14/h7-8,10-11,13H,3-6,9,18H2,1-2H3,(H,19,20,21,22)
InChIKeyWBSGFGFXIZGVDP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.27
Rot. Bonds4

About 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine

6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19140543) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19140543
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2ccc(C)cn2)c1N
InChIInChI=1S/C17H24N6/c1-3-13-6-4-5-9-23(13)17-15(18)16(20-11-21-17)22-14-8-7-12(2)10-19-14/h7-8,10-11,13H,3-6,9,18H2,1-2H3,(H,19,20,21,22)
InChIKeyWBSGFGFXIZGVDP-UHFFFAOYSA-N
XLogP3.27
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179
6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19140494
6-(2-ethylpiperidin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19140470
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19140566
4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19140492
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19140515
4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137200
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine (CID 19140543) is 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine is CCC1CCCCN1c1ncnc(Nc2ccc(C)cn2)c1N.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is WBSGFGFXIZGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-3-13-6-4-5-9-23(13)17-15(18)16(20-11-21-17)22-14-8-7-12(2)10-19-14/h7-8,10-11,13H,3-6,9,18H2,1-2H3,(H,19,20,21,22).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).