(3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol

C15H24N4O2 — CID 72915704

IUPAC(3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC[C@]1(C)O
InChIInChI=1S/C15H24N4O2/c1-12-10-19(4-3-15(12,2)20)14-9-13(16-11-17-14)18-5-7-21-8-6-18/h9,11-12,20H,3-8,10H2,1-2H3/t12-,15+/m1/s1
InChIKeyAALVMEVWDYUGJQ-DOMZBBRYSA-N
MW292.38 g/mol
LogP0.91
Rot. Bonds2

About (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol

(3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 72915704) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
PubChem CID72915704
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC[C@]1(C)O
InChIInChI=1S/C15H24N4O2/c1-12-10-19(4-3-15(12,2)20)14-9-13(16-11-17-14)18-5-7-21-8-6-18/h9,11-12,20H,3-8,10H2,1-2H3/t12-,15+/m1/s1
InChIKeyAALVMEVWDYUGJQ-DOMZBBRYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol (CID 72915704) is (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol is C[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC[C@]1(C)O.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is AALVMEVWDYUGJQ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-10-19(4-3-15(12,2)20)14-9-13(16-11-17-14)18-5-7-21-8-6-18/h9,11-12,20H,3-8,10H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol?
(3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 292.38 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 72915704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).