4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine

C16H22ClN5O — CID 141306166

IUPAC4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine
SMILESCc1c(Cl)ncnc1OC1CCN(c2cc(C(C)C)[nH]n2)CC1
InChIInChI=1S/C16H22ClN5O/c1-10(2)13-8-14(21-20-13)22-6-4-12(5-7-22)23-16-11(3)15(17)18-9-19-16/h8-10,12H,4-7H2,1-3H3,(H,20,21)
InChIKeyOGYWHAIRVNTBDW-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine

4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine (PubChem CID 141306166) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine
PubChem CID141306166
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine
SMILESCc1c(Cl)ncnc1OC1CCN(c2cc(C(C)C)[nH]n2)CC1
InChIInChI=1S/C16H22ClN5O/c1-10(2)13-8-14(21-20-13)22-6-4-12(5-7-22)23-16-11(3)15(17)18-9-19-16/h8-10,12H,4-7H2,1-3H3,(H,20,21)
InChIKeyOGYWHAIRVNTBDW-UHFFFAOYSA-N
XLogP3.33
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine (CID 141306166) is 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine is Cc1c(Cl)ncnc1OC1CCN(c2cc(C(C)C)[nH]n2)CC1.
What is the InChIKey of 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine?
The InChIKey is OGYWHAIRVNTBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-10(2)13-8-14(21-20-13)22-6-4-12(5-7-22)23-16-11(3)15(17)18-9-19-16/h8-10,12H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine?
4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine has a molecular weight of 335.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[1-(5-propan-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 141306166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).