4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

C18H27ClN6 — CID 51301701

IUPAC4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H27ClN6/c1-12(2)18-20-13(3)10-16(21-18)25-8-6-24(7-9-25)11-15-14(4)22-23(5)17(15)19/h10,12H,6-9,11H2,1-5H3
InChIKeyFZOPYMRMJKDHJF-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.93
Rot. Bonds4

About 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine

4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 51301701) has the molecular formula C18H27ClN6 and a molecular weight of 362.91 g/mol. Its IUPAC name is 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
PubChem CID51301701
Molecular FormulaC18H27ClN6
Molecular Weight362.91 g/mol
Exact Mass362.20
IUPAC Name4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H27ClN6/c1-12(2)18-20-13(3)10-16(21-18)25-8-6-24(7-9-25)11-15-14(4)22-23(5)17(15)19/h10,12H,6-9,11H2,1-5H3
InChIKeyFZOPYMRMJKDHJF-UHFFFAOYSA-N
XLogP2.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine with MolForge

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
4-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 112798607
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 30750607
N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 24589360
3-(3-methylphenyl)-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36943087
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine (CID 51301701) is 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine is Cc1cc(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is FZOPYMRMJKDHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6/c1-12(2)18-20-13(3)10-16(21-18)25-8-6-24(7-9-25)11-15-14(4)22-23(5)17(15)19/h10,12H,6-9,11H2,1-5H3.
What are the key properties of 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine?
4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 362.91 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 51301701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).