6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine

C19H34N6 — CID 19140121

IUPAC6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
SMILESCC1CCCCN1c1ncnc(NC2CC(C)(C)NC(C)(C)C2)c1N
InChIInChI=1S/C19H34N6/c1-13-8-6-7-9-25(13)17-15(20)16(21-12-22-17)23-14-10-18(2,3)24-19(4,5)11-14/h12-14,24H,6-11,20H2,1-5H3,(H,21,22,23)
InChIKeyHWIFWBURZDVBMA-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.16
Rot. Bonds3

About 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine

6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine (PubChem CID 19140121) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
PubChem CID19140121
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
SMILESCC1CCCCN1c1ncnc(NC2CC(C)(C)NC(C)(C)C2)c1N
InChIInChI=1S/C19H34N6/c1-13-8-6-7-9-25(13)17-15(20)16(21-12-22-17)23-14-10-18(2,3)24-19(4,5)11-14/h12-14,24H,6-11,20H2,1-5H3,(H,21,22,23)
InChIKeyHWIFWBURZDVBMA-UHFFFAOYSA-N
XLogP3.16
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine (CID 19140121) is 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine is CC1CCCCN1c1ncnc(NC2CC(C)(C)NC(C)(C)C2)c1N.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
The InChIKey is HWIFWBURZDVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-13-8-6-7-9-25(13)17-15(20)16(21-12-22-17)23-14-10-18(2,3)24-19(4,5)11-14/h12-14,24H,6-11,20H2,1-5H3,(H,21,22,23).
What are the key properties of 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine?
6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine has a molecular weight of 346.52 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).