4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine

C12H21N5 — CID 80820622

IUPAC4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCN1CCC(N(C)c2cc(N)ncn2)CC1
InChIInChI=1S/C12H21N5/c1-3-17-6-4-10(5-7-17)16(2)12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDRAWTTKWKOCZPS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.98
Rot. Bonds3

About 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine

4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80820622) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80820622
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCN1CCC(N(C)c2cc(N)ncn2)CC1
InChIInChI=1S/C12H21N5/c1-3-17-6-4-10(5-7-17)16(2)12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDRAWTTKWKOCZPS-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine (CID 80820622) is 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine is CCN1CCC(N(C)c2cc(N)ncn2)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is DRAWTTKWKOCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-17-6-4-10(5-7-17)16(2)12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine?
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80820622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).