4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine

C16H26N4 — CID 110271305

IUPAC4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine
SMILESCC1CCN(c2cc(CCC3CCCN3)ncn2)CC1
InChIInChI=1S/C16H26N4/c1-13-6-9-20(10-7-13)16-11-15(18-12-19-16)5-4-14-3-2-8-17-14/h11-14,17H,2-10H2,1H3
InChIKeyOEGOKNTWEZHDRI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.40
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine

4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine (PubChem CID 110271305) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine
PubChem CID110271305
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine
SMILESCC1CCN(c2cc(CCC3CCCN3)ncn2)CC1
InChIInChI=1S/C16H26N4/c1-13-6-9-20(10-7-13)16-11-15(18-12-19-16)5-4-14-3-2-8-17-14/h11-14,17H,2-10H2,1H3
InChIKeyOEGOKNTWEZHDRI-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777258
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-(1-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 66740859
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine (CID 110271305) is 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine is CC1CCN(c2cc(CCC3CCCN3)ncn2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine?
The InChIKey is OEGOKNTWEZHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-6-9-20(10-7-13)16-11-15(18-12-19-16)5-4-14-3-2-8-17-14/h11-14,17H,2-10H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine?
4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-6-(2-pyrrolidin-2-ylethyl)pyrimidine is sourced from PubChem (CID 110271305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).