2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol

C20H23N5O2 — CID 126451520

IUPAC2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2ccnc3ccccc23)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C20H23N5O2/c26-9-8-22-20-24-18(15-6-10-27-13-15)11-19(25-20)23-12-14-5-7-21-17-4-2-1-3-16(14)17/h1-5,7,11,15,26H,6,8-10,12-13H2,(H2,22,23,24,25)/t15-/m1/s1
InChIKeyOGNDKDDAFTUCPF-OAHLLOKOSA-N
MW365.44 g/mol
LogP2.55
Rot. Bonds7

About 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol

2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol (PubChem CID 126451520) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol
PubChem CID126451520
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2ccnc3ccccc23)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C20H23N5O2/c26-9-8-22-20-24-18(15-6-10-27-13-15)11-19(25-20)23-12-14-5-7-21-17-4-2-1-3-16(14)17/h1-5,7,11,15,26H,6,8-10,12-13H2,(H2,22,23,24,25)/t15-/m1/s1
InChIKeyOGNDKDDAFTUCPF-OAHLLOKOSA-N
XLogP2.55
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068356
2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425999
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126428211
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068065
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol (CID 126451520) is 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol is OCCNc1nc(NCc2ccnc3ccccc23)cc([C@@H]2CCOC2)n1.
What is the InChIKey of 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
The InChIKey is OGNDKDDAFTUCPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-9-8-22-20-24-18(15-6-10-27-13-15)11-19(25-20)23-12-14-5-7-21-17-4-2-1-3-16(14)17/h1-5,7,11,15,26H,6,8-10,12-13H2,(H2,22,23,24,25)/t15-/m1/s1.
What are the key properties of 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol?
2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol has a molecular weight of 365.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3S)-oxolan-3-yl]-6-(quinolin-4-ylmethylamino)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126451520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).