4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine

C11H21N5 — CID 152569151

IUPAC4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
SMILESCCC1CNCCC1C1(N)C=CNC(N)=N1
InChIInChI=1S/C11H21N5/c1-2-8-7-14-5-3-9(8)11(13)4-6-15-10(12)16-11/h4,6,8-9,14H,2-3,5,7,13H2,1H3,(H3,12,15,16)
InChIKeyYRCOKLGIKWCBET-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.29
Rot. Bonds2

About 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine

4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 152569151) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
PubChem CID152569151
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
SMILESCCC1CNCCC1C1(N)C=CNC(N)=N1
InChIInChI=1S/C11H21N5/c1-2-8-7-14-5-3-9(8)11(13)4-6-15-10(12)16-11/h4,6,8-9,14H,2-3,5,7,13H2,1H3,(H3,12,15,16)
InChIKeyYRCOKLGIKWCBET-UHFFFAOYSA-N
XLogP-0.29
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine (CID 152569151) is 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine is CCC1CNCCC1C1(N)C=CNC(N)=N1.
What is the InChIKey of 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is YRCOKLGIKWCBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-8-7-14-5-3-9(8)11(13)4-6-15-10(12)16-11/h4,6,8-9,14H,2-3,5,7,13H2,1H3,(H3,12,15,16).
What are the key properties of 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of -0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152569151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).