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

C16H29N5 — CID 80940140

IUPAC6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCCCN1CCC(Nc2cc(NCC)nc(CC)n2)CC1
InChIInChI=1S/C16H29N5/c1-4-9-21-10-7-13(8-11-21)18-16-12-15(17-6-3)19-14(5-2)20-16/h12-13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyNRZKAOFJNIPGAE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.76
Rot. Bonds7

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

6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 80940140) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID80940140
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCCCN1CCC(Nc2cc(NCC)nc(CC)n2)CC1
InChIInChI=1S/C16H29N5/c1-4-9-21-10-7-13(8-11-21)18-16-12-15(17-6-3)19-14(5-2)20-16/h12-13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyNRZKAOFJNIPGAE-UHFFFAOYSA-N
XLogP2.76
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 80940140) is 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine is CCCN1CCC(Nc2cc(NCC)nc(CC)n2)CC1.
What is the InChIKey of 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is NRZKAOFJNIPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-9-21-10-7-13(8-11-21)18-16-12-15(17-6-3)19-14(5-2)20-16/h12-13H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80940140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).