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

C14H25N5O — CID 91635591

IUPAC4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCN(C)c1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C14H25N5O/c1-11-4-6-19(7-5-11)14-12(15)13(16-10-17-14)18(2)8-9-20-3/h10-11H,4-9,15H2,1-3H3
InChIKeyYHFKEMAOHYIQNO-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.38
Rot. Bonds5

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

4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 91635591) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID91635591
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCN(C)c1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C14H25N5O/c1-11-4-6-19(7-5-11)14-12(15)13(16-10-17-14)18(2)8-9-20-3/h10-11H,4-9,15H2,1-3H3
InChIKeyYHFKEMAOHYIQNO-UHFFFAOYSA-N
XLogP1.38
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 91635591) is 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is COCCN(C)c1ncnc(N2CCC(C)CC2)c1N.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is YHFKEMAOHYIQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-4-6-19(7-5-11)14-12(15)13(16-10-17-14)18(2)8-9-20-3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 91635591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).