2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol

C13H23N5O2 — CID 50965721

IUPAC2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCC(C)Oc1cc(N2CCN(CCO)CC2)nc(N)n1
InChIInChI=1S/C13H23N5O2/c1-10(2)20-12-9-11(15-13(14)16-12)18-5-3-17(4-6-18)7-8-19/h9-10,19H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyJPQZOKJWZXRMSG-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.04
Rot. Bonds5

About 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 50965721) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID50965721
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCC(C)Oc1cc(N2CCN(CCO)CC2)nc(N)n1
InChIInChI=1S/C13H23N5O2/c1-10(2)20-12-9-11(15-13(14)16-12)18-5-3-17(4-6-18)7-8-19/h9-10,19H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyJPQZOKJWZXRMSG-UHFFFAOYSA-N
XLogP-0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(3-propan-2-yloxypropylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577057
2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 44577414
N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
CID 44577415
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577417
4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577448

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol (CID 50965721) is 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol is CC(C)Oc1cc(N2CCN(CCO)CC2)nc(N)n1.
What is the InChIKey of 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is JPQZOKJWZXRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)20-12-9-11(15-13(14)16-12)18-5-3-17(4-6-18)7-8-19/h9-10,19H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 281.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 50965721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).