1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol

C17H25N5O2 — CID 50973711

IUPAC1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)Cc1cc(CNc2nccc(N3CCCC(O)C3)n2)no1
InChIInChI=1S/C17H25N5O2/c1-12(2)8-15-9-13(21-24-15)10-19-17-18-6-5-16(20-17)22-7-3-4-14(23)11-22/h5-6,9,12,14,23H,3-4,7-8,10-11H2,1-2H3,(H,18,19,20)
InChIKeyLSCBPWKJZHUEGG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 50973711) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID50973711
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)Cc1cc(CNc2nccc(N3CCCC(O)C3)n2)no1
InChIInChI=1S/C17H25N5O2/c1-12(2)8-15-9-13(21-24-15)10-19-17-18-6-5-16(20-17)22-7-3-4-14(23)11-22/h5-6,9,12,14,23H,3-4,7-8,10-11H2,1-2H3,(H,18,19,20)
InChIKeyLSCBPWKJZHUEGG-UHFFFAOYSA-N
XLogP2.24
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 162628382
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 135117171
1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134712116
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95525382

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 50973711) is 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol is CC(C)Cc1cc(CNc2nccc(N3CCCC(O)C3)n2)no1.
What is the InChIKey of 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is LSCBPWKJZHUEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)8-15-9-13(21-24-15)10-19-17-18-6-5-16(20-17)22-7-3-4-14(23)11-22/h5-6,9,12,14,23H,3-4,7-8,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 50973711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).