4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine

C13H17N5 — CID 39741292

IUPAC4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine
SMILESCn1cc(-c2cc(N3CCCCC3)ncn2)cn1
InChIInChI=1S/C13H17N5/c1-17-9-11(8-16-17)12-7-13(15-10-14-12)18-5-3-2-4-6-18/h7-10H,2-6H2,1H3
InChIKeyOUEMBZMWVPLAOG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.87
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine

4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine (PubChem CID 39741292) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine
PubChem CID39741292
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine
SMILESCn1cc(-c2cc(N3CCCCC3)ncn2)cn1
InChIInChI=1S/C13H17N5/c1-17-9-11(8-16-17)12-7-13(15-10-14-12)18-5-3-2-4-6-18/h7-10H,2-6H2,1H3
InChIKeyOUEMBZMWVPLAOG-UHFFFAOYSA-N
XLogP1.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol
CID 39805289
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 90398461
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 90398854
2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159183455
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
4-(4-but-3-ynylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133453675
N-methyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
CID 83878191

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine (CID 39741292) is 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine is Cn1cc(-c2cc(N3CCCCC3)ncn2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine?
The InChIKey is OUEMBZMWVPLAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-9-11(8-16-17)12-7-13(15-10-14-12)18-5-3-2-4-6-18/h7-10H,2-6H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine?
4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 39741292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).