4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine

C19H27N5 — CID 22546179

IUPAC4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C19H27N5/c1-4-16-7-5-6-10-24(16)19-17(20)18(21-12-22-19)23-15-9-8-13(2)14(3)11-15/h8-9,11-12,16H,4-7,10,20H2,1-3H3,(H,21,22,23)
InChIKeyUUNYEHSDJZHJOZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.19
Rot. Bonds4

About 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 22546179) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID22546179
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(Nc2ccc(C)c(C)c2)c1N
InChIInChI=1S/C19H27N5/c1-4-16-7-5-6-10-24(16)19-17(20)18(21-12-22-19)23-15-9-8-13(2)14(3)11-15/h8-9,11-12,16H,4-7,10,20H2,1-3H3,(H,21,22,23)
InChIKeyUUNYEHSDJZHJOZ-UHFFFAOYSA-N
XLogP4.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19140566
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
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
2-[4-[[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-2-chloro-5-methylphenyl]-2-(4-chlorophenyl)acetonitrile
CID 22544495
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140440
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22542524

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 22546179) is 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine is CCC1CCCCN1c1ncnc(Nc2ccc(C)c(C)c2)c1N.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is UUNYEHSDJZHJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-4-16-7-5-6-10-24(16)19-17(20)18(21-12-22-19)23-15-9-8-13(2)14(3)11-15/h8-9,11-12,16H,4-7,10,20H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).