3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol

C18H24N4O3 — CID 119073055

IUPAC3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C18H24N4O3/c1-22(11-13-3-2-4-15(24)9-13)17-10-16(14-5-8-25-12-14)20-18(21-17)19-6-7-23/h2-4,9-10,14,23-24H,5-8,11-12H2,1H3,(H,19,20,21)
InChIKeyGISHXCZEECINAW-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.73
Rot. Bonds7

About 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol

3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol (PubChem CID 119073055) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
PubChem CID119073055
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C18H24N4O3/c1-22(11-13-3-2-4-15(24)9-13)17-10-16(14-5-8-25-12-14)20-18(21-17)19-6-7-23/h2-4,9-10,14,23-24H,5-8,11-12H2,1H3,(H,19,20,21)
InChIKeyGISHXCZEECINAW-UHFFFAOYSA-N
XLogP1.73
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126437837
2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126442629
2-[[4-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425716
2-[[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425143
2-[[4-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055
2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118775037
2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118781186
1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
CID 126430569
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
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

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol?
The IUPAC name of 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol (CID 119073055) is 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol?
The canonical SMILES for 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol is CN(Cc1cccc(O)c1)c1cc(C2CCOC2)nc(NCCO)n1.
What is the InChIKey of 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol?
The InChIKey is GISHXCZEECINAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-22(11-13-3-2-4-15(24)9-13)17-10-16(14-5-8-25-12-14)20-18(21-17)19-6-7-23/h2-4,9-10,14,23-24H,5-8,11-12H2,1H3,(H,19,20,21).
What are the key properties of 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol?
3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol has a molecular weight of 344.42 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol is sourced from PubChem (CID 119073055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).