1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol

C23H27N5O2 — CID 135102157

IUPAC1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)ncn2)CC1
InChIInChI=1S/C23H27N5O2/c29-18-6-9-28(10-7-18)23-12-22(25-15-26-23)27-21-14-30-13-17(21)11-16-5-8-24-20-4-2-1-3-19(16)20/h1-5,8,12,15,17-18,21,29H,6-7,9-11,13-14H2,(H,25,26,27)/t17-,21-/m1/s1
InChIKeyUJASGUNIHIAJRR-DYESRHJHSA-N
MW405.50 g/mol
LogP2.66
Rot. Bonds5

About 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 135102157) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID135102157
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)ncn2)CC1
InChIInChI=1S/C23H27N5O2/c29-18-6-9-28(10-7-18)23-12-22(25-15-26-23)27-21-14-30-13-17(21)11-16-5-8-24-20-4-2-1-3-19(16)20/h1-5,8,12,15,17-18,21,29H,6-7,9-11,13-14H2,(H,25,26,27)/t17-,21-/m1/s1
InChIKeyUJASGUNIHIAJRR-DYESRHJHSA-N
XLogP2.66
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine
CID 135090329
formic acid;1-[6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 154918510
6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine
CID 135113317
6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135103951
2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135106936
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
CID 135098213
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
5-cyclopropyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 135106187

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 135102157) is 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)ncn2)CC1.
What is the InChIKey of 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is UJASGUNIHIAJRR-DYESRHJHSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-18-6-9-28(10-7-18)23-12-22(25-15-26-23)27-21-14-30-13-17(21)11-16-5-8-24-20-4-2-1-3-19(16)20/h1-5,8,12,15,17-18,21,29H,6-7,9-11,13-14H2,(H,25,26,27)/t17-,21-/m1/s1.
What are the key properties of 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 405.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 135102157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).