1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol

C20H28N4O2 — CID 135100300

IUPAC1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCOc1ccccc1CCCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C20H28N4O2/c1-2-26-18-10-4-3-7-16(18)8-5-12-21-20-22-13-11-19(23-20)24-14-6-9-17(25)15-24/h3-4,7,10-11,13,17,25H,2,5-6,8-9,12,14-15H2,1H3,(H,21,22,23)
InChIKeyPPMBIAMJDMZPEI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds8

About 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 135100300) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID135100300
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCOc1ccccc1CCCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C20H28N4O2/c1-2-26-18-10-4-3-7-16(18)8-5-12-21-20-22-13-11-19(23-20)24-14-6-9-17(25)15-24/h3-4,7,10-11,13,17,25H,2,5-6,8-9,12,14-15H2,1H3,(H,21,22,23)
InChIKeyPPMBIAMJDMZPEI-UHFFFAOYSA-N
XLogP2.88
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50955735
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 135117171
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol (CID 135100300) is 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol is CCOc1ccccc1CCCNc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is PPMBIAMJDMZPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-26-18-10-4-3-7-16(18)8-5-12-21-20-22-13-11-19(23-20)24-14-6-9-17(25)15-24/h3-4,7,10-11,13,17,25H,2,5-6,8-9,12,14-15H2,1H3,(H,21,22,23).
What are the key properties of 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 356.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 135100300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).