2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

C16H24N6O2 — CID 119068065

IUPAC2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCCn1cncc1CNc1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C16H24N6O2/c1-2-22-11-17-8-13(22)9-19-15-7-14(12-3-6-24-10-12)20-16(21-15)18-4-5-23/h7-8,11-12,23H,2-6,9-10H2,1H3,(H2,18,19,20,21)
InChIKeyAAYUDYJHQPVYAQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.21
Rot. Bonds8

About 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 119068065) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID119068065
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCCn1cncc1CNc1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C16H24N6O2/c1-2-22-11-17-8-13(22)9-19-15-7-14(12-3-6-24-10-12)20-16(21-15)18-4-5-23/h7-8,11-12,23H,2-6,9-10H2,1H3,(H2,18,19,20,21)
InChIKeyAAYUDYJHQPVYAQ-UHFFFAOYSA-N
XLogP1.21
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068356
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126428211
2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol
CID 126451520
2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol
CID 126451906
2-[[4-[2-(3-methylthiophen-2-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118765909
2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425999

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (CID 119068065) is 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is CCn1cncc1CNc1cc(C2CCOC2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is AAYUDYJHQPVYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-2-22-11-17-8-13(22)9-19-15-7-14(12-3-6-24-10-12)20-16(21-15)18-4-5-23/h7-8,11-12,23H,2-6,9-10H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 332.41 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 119068065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).