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

C15H27N5 — CID 19136715

IUPAC4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(N(CC)CC)c1N
InChIInChI=1S/C15H27N5/c1-4-12-9-7-8-10-20(12)15-13(16)14(17-11-18-15)19(5-2)6-3/h11-12H,4-10,16H2,1-3H3
InChIKeyCWDWYNCDVPZYNP-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.67
Rot. Bonds5

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

4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19136715) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID19136715
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCC1CCCCN1c1ncnc(N(CC)CC)c1N
InChIInChI=1S/C15H27N5/c1-4-12-9-7-8-10-20(12)15-13(16)14(17-11-18-15)19(5-2)6-3/h11-12H,4-10,16H2,1-3H3
InChIKeyCWDWYNCDVPZYNP-UHFFFAOYSA-N
XLogP2.67
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 19136715) is 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine is CCC1CCCCN1c1ncnc(N(CC)CC)c1N.
What is the InChIKey of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is CWDWYNCDVPZYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-12-9-7-8-10-20(12)15-13(16)14(17-11-18-15)19(5-2)6-3/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19136715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).