4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine

C14H20ClN3O — CID 124850877

IUPAC4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
SMILESCO[C@H]1CCN(c2cc(Cl)nc(C3CC3)n2)[C@H](C)C1
InChIInChI=1S/C14H20ClN3O/c1-9-7-11(19-2)5-6-18(9)13-8-12(15)16-14(17-13)10-3-4-10/h8-11H,3-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyRGALMKZUQCAEFO-KOLCDFICSA-N
MW281.79 g/mol
LogP3.01
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine

4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine (PubChem CID 124850877) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
PubChem CID124850877
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
SMILESCO[C@H]1CCN(c2cc(Cl)nc(C3CC3)n2)[C@H](C)C1
InChIInChI=1S/C14H20ClN3O/c1-9-7-11(19-2)5-6-18(9)13-8-12(15)16-14(17-13)10-3-4-10/h8-11H,3-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyRGALMKZUQCAEFO-KOLCDFICSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine (CID 124850877) is 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine is CO[C@H]1CCN(c2cc(Cl)nc(C3CC3)n2)[C@H](C)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine?
The InChIKey is RGALMKZUQCAEFO-KOLCDFICSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-7-11(19-2)5-6-18(9)13-8-12(15)16-14(17-13)10-3-4-10/h8-11H,3-7H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine?
4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine has a molecular weight of 281.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 124850877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).