4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine

C10H14ClN3O — CID 71639114

IUPAC4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
SMILESCc1cnc(O[C@H]2CCCNC2)nc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-5-13-10(14-9(7)11)15-8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyCYRSOUGUSHONSF-QMMMGPOBSA-N
MW227.69 g/mol
LogP1.57
Rot. Bonds2

About 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine

4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine (PubChem CID 71639114) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
PubChem CID71639114
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
SMILESCc1cnc(O[C@H]2CCCNC2)nc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-5-13-10(14-9(7)11)15-8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyCYRSOUGUSHONSF-QMMMGPOBSA-N
XLogP1.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 66247592
5-bromo-4-methoxy-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 106999610
4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
CID 71638492
4,6-dimethyl-2-piperidin-3-yloxypyrimidine;hydrochloride
CID 71638406
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
CID 97162662
4-chloro-5-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 97162661
5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
CID 95031425
2-methyl-5-piperidin-3-yloxypyridine
CID 18712955
5-methyl-2-[(3S)-piperidin-3-yl]oxypyridine
CID 66246612
4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
3-(3,4,5-trimethylphenoxy)piperidine
CID 91468136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine (CID 71639114) is 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine is Cc1cnc(O[C@H]2CCCNC2)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine?
The InChIKey is CYRSOUGUSHONSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-13-10(14-9(7)11)15-8-3-2-4-12-6-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine?
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 71639114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).