2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

C16H23N5O3 — CID 118781186

IUPAC2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCc1cc(CN(C)c2cc(C3CCOC3)nc(NCCO)n2)on1
InChIInChI=1S/C16H23N5O3/c1-11-7-13(24-20-11)9-21(2)15-8-14(12-3-6-23-10-12)18-16(19-15)17-4-5-22/h7-8,12,22H,3-6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyTWNVTQYTGJILAR-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.32
Rot. Bonds7

About 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 118781186) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID118781186
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCc1cc(CN(C)c2cc(C3CCOC3)nc(NCCO)n2)on1
InChIInChI=1S/C16H23N5O3/c1-11-7-13(24-20-11)9-21(2)15-8-14(12-3-6-23-10-12)18-16(19-15)17-4-5-22/h7-8,12,22H,3-6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyTWNVTQYTGJILAR-UHFFFAOYSA-N
XLogP1.32
TPSA96.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118775037
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
3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
CID 119073055
2-[[4-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055
2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126437837
1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
CID 126430569
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
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 126431503
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (CID 118781186) is 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is Cc1cc(CN(C)c2cc(C3CCOC3)nc(NCCO)n2)on1.
What is the InChIKey of 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is TWNVTQYTGJILAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-7-13(24-20-11)9-21(2)15-8-14(12-3-6-23-10-12)18-16(19-15)17-4-5-22/h7-8,12,22H,3-6,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 333.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 118781186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).