4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride

C10H15Cl2N3O — CID 71638492

IUPAC4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
SMILESCc1cc(Cl)nc(O[C@H]2CCCNC2)n1.Cl
InChIInChI=1S/C10H14ClN3O.ClH/c1-7-5-9(11)14-10(13-7)15-8-3-2-4-12-6-8;/h5,8,12H,2-4,6H2,1H3;1H/t8-;/m0./s1
InChIKeyRTUMFHPBPYAPLV-QRPNPIFTSA-N
MW264.16 g/mol
LogP1.99
Rot. Bonds2

About 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride

4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride (PubChem CID 71638492) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
PubChem CID71638492
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
SMILESCc1cc(Cl)nc(O[C@H]2CCCNC2)n1.Cl
InChIInChI=1S/C10H14ClN3O.ClH/c1-7-5-9(11)14-10(13-7)15-8-3-2-4-12-6-8;/h5,8,12H,2-4,6H2,1H3;1H/t8-;/m0./s1
InChIKeyRTUMFHPBPYAPLV-QRPNPIFTSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490
4,6-dimethyl-2-piperidin-3-yloxypyrimidine;hydrochloride
CID 71638406
4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
CID 157254472
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 71639114
2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride
CID 71638580
5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 66247592
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048
4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 71640856
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
2-methyl-6-piperidin-3-yloxypyridine-4-carboxamide
CID 114770439
4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride
CID 71639242
3-(3,4,5-trimethylphenoxy)piperidine
CID 91468136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride?
The IUPAC name of 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride (CID 71638492) is 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride is Cc1cc(Cl)nc(O[C@H]2CCCNC2)n1.Cl.
What is the InChIKey of 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride?
The InChIKey is RTUMFHPBPYAPLV-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H14ClN3O.ClH/c1-7-5-9(11)14-10(13-7)15-8-3-2-4-12-6-8;/h5,8,12H,2-4,6H2,1H3;1H/t8-;/m0./s1.
What are the key properties of 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride?
4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride has a molecular weight of 264.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride is sourced from PubChem (CID 71638492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).