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

C15H20N4 — CID 116893520

IUPAC4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1cc(-c2ccc[nH]2)nc(CC2CCCCN2)n1
InChIInChI=1S/C15H20N4/c1-11-9-14(13-6-4-8-17-13)19-15(18-11)10-12-5-2-3-7-16-12/h4,6,8-9,12,16-17H,2-3,5,7,10H2,1H3
InChIKeyUPFFLJGQCAKABH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.46
Rot. Bonds3

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

4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 116893520) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
PubChem CID116893520
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1cc(-c2ccc[nH]2)nc(CC2CCCCN2)n1
InChIInChI=1S/C15H20N4/c1-11-9-14(13-6-4-8-17-13)19-15(18-11)10-12-5-2-3-7-16-12/h4,6,8-9,12,16-17H,2-3,5,7,10H2,1H3
InChIKeyUPFFLJGQCAKABH-UHFFFAOYSA-N
XLogP2.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
2-[[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]morpholine
CID 116895639
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893449
4-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butanoic acid
CID 116894140
4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82665682
5-methoxy-2-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132123
4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 82666688
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine (CID 116893520) is 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine is Cc1cc(-c2ccc[nH]2)nc(CC2CCCCN2)n1.
What is the InChIKey of 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is UPFFLJGQCAKABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-9-14(13-6-4-8-17-13)19-15(18-11)10-12-5-2-3-7-16-12/h4,6,8-9,12,16-17H,2-3,5,7,10H2,1H3.
What are the key properties of 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine?
4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 256.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 116893520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).