2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol

C16H27N5O2 — CID 126446619

IUPAC2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCN2CCCC2)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C16H27N5O2/c22-9-5-18-16-19-14(13-3-10-23-12-13)11-15(20-16)17-4-8-21-6-1-2-7-21/h11,13,22H,1-10,12H2,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyFSYJCOVCSUNBCN-CYBMUJFWSA-N
MW321.43 g/mol
LogP0.89
Rot. Bonds8

About 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol

2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol (PubChem CID 126446619) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
PubChem CID126446619
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCN2CCCC2)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C16H27N5O2/c22-9-5-18-16-19-14(13-3-10-23-12-13)11-15(20-16)17-4-8-21-6-1-2-7-21/h11,13,22H,1-10,12H2,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyFSYJCOVCSUNBCN-CYBMUJFWSA-N
XLogP0.89
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
1-[4-[(3S)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylbutylamino)pyrimidin-2-yl]azetidin-3-ol
CID 126438720
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
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-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol (CID 126446619) is 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol is OCCNc1nc(NCCN2CCCC2)cc([C@@H]2CCOC2)n1.
What is the InChIKey of 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol?
The InChIKey is FSYJCOVCSUNBCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O2/c22-9-5-18-16-19-14(13-3-10-23-12-13)11-15(20-16)17-4-8-21-6-1-2-7-21/h11,13,22H,1-10,12H2,(H2,17,18,19,20)/t13-/m1/s1.
What are the key properties of 2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol?
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol has a molecular weight of 321.43 g/mol, XLogP of 0.89, 8 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-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126446619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).