2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol

C13H22N4O2 — CID 119069260

IUPAC2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
SMILESCC(C)Nc1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)15-12-7-11(10-3-6-19-8-10)16-13(17-12)14-4-5-18/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyAGHZRDUGJTZAMU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.21
Rot. Bonds6

About 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol

2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol (PubChem CID 119069260) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
PubChem CID119069260
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
SMILESCC(C)Nc1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)15-12-7-11(10-3-6-19-8-10)16-13(17-12)14-4-5-18/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyAGHZRDUGJTZAMU-UHFFFAOYSA-N
XLogP1.21
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
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-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055
2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068356
2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
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
2-[[4-[(3-ethylimidazol-4-yl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068065
2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126428211

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol (CID 119069260) is 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol is CC(C)Nc1cc(C2CCOC2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol?
The InChIKey is AGHZRDUGJTZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)15-12-7-11(10-3-6-19-8-10)16-13(17-12)14-4-5-18/h7,9-10,18H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol?
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 119069260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).