2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine

C14H18N4 — CID 116898986

IUPAC2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
SMILESc1cc(-c2cc[nH]c2)nc(CC2CCNCC2)n1
InChIInChI=1S/C14H18N4/c1-5-15-6-2-11(1)9-14-17-8-4-13(18-14)12-3-7-16-10-12/h3-4,7-8,10-11,15-16H,1-2,5-6,9H2
InChIKeyCEMBTLFEZNOSLZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.01
Rot. Bonds3

About 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine

2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine (PubChem CID 116898986) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
PubChem CID116898986
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
SMILESc1cc(-c2cc[nH]c2)nc(CC2CCNCC2)n1
InChIInChI=1S/C14H18N4/c1-5-15-6-2-11(1)9-14-17-8-4-13(18-14)12-3-7-16-10-12/h3-4,7-8,10-11,15-16H,1-2,5-6,9H2
InChIKeyCEMBTLFEZNOSLZ-UHFFFAOYSA-N
XLogP2.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898651
4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
CID 116898947
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
4-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685078
3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
CID 116901807
2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
CID 141198481
2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
CID 116898975
3-methyl-2-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116903216
2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
CID 116901944
N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine
CID 116972198
5-methyl-4-(piperidin-4-ylmethyl)quinoline
CID 18365374

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine?
The IUPAC name of 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine (CID 116898986) is 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine is c1cc(-c2cc[nH]c2)nc(CC2CCNCC2)n1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine?
The InChIKey is CEMBTLFEZNOSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-5-15-6-2-11(1)9-14-17-8-4-13(18-14)12-3-7-16-10-12/h3-4,7-8,10-11,15-16H,1-2,5-6,9H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine?
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine has a molecular weight of 242.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine is sourced from PubChem (CID 116898986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).