4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine

C14H18N4 — CID 116893449

IUPAC4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1cc(-c2ccc[nH]2)nc(C2CCNCC2)n1
InChIInChI=1S/C14H18N4/c1-10-9-13(12-3-2-6-16-12)18-14(17-10)11-4-7-15-8-5-11/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3
InChIKeyRMGFEIKOTNSHAO-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.25
Rot. Bonds2

About 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine

4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 116893449) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
PubChem CID116893449
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1cc(-c2ccc[nH]2)nc(C2CCNCC2)n1
InChIInChI=1S/C14H18N4/c1-10-9-13(12-3-2-6-16-12)18-14(17-10)11-4-7-15-8-5-11/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3
InChIKeyRMGFEIKOTNSHAO-UHFFFAOYSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine
CID 116895553
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893520
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
CID 116895639
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265
4-methyl-2-[[4-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141280184
4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136988563
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanenitrile
CID 116895123
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine (CID 116893449) is 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine is Cc1cc(-c2ccc[nH]2)nc(C2CCNCC2)n1.
What is the InChIKey of 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is RMGFEIKOTNSHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-9-13(12-3-2-6-16-12)18-14(17-10)11-4-7-15-8-5-11/h2-3,6,9,11,15-16H,4-5,7-8H2,1H3.
What are the key properties of 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine?
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 242.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 116893449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).