4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

C13H21N5 — CID 98042461

IUPAC4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESC[C@@H]1CNCCN1c1cc(N2CCCC2)ncn1
InChIInChI=1S/C13H21N5/c1-11-9-14-4-7-18(11)13-8-12(15-10-16-13)17-5-2-3-6-17/h8,10-11,14H,2-7,9H2,1H3/t11-/m1/s1
InChIKeyQNGNJSVTRQXTPM-LLVKDONJSA-N
MW247.35 g/mol
LogP0.87
Rot. Bonds2

About 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 98042461) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID98042461
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESC[C@@H]1CNCCN1c1cc(N2CCCC2)ncn1
InChIInChI=1S/C13H21N5/c1-11-9-14-4-7-18(11)13-8-12(15-10-16-13)17-5-2-3-6-17/h8,10-11,14H,2-7,9H2,1H3/t11-/m1/s1
InChIKeyQNGNJSVTRQXTPM-LLVKDONJSA-N
XLogP0.87
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine
CID 126848956
3-[(2S)-2-methylpiperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline
CID 176915206
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
CID 71639508
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
CID 64931724
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
3-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463815
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133315928

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (CID 98042461) is 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is C[C@@H]1CNCCN1c1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is QNGNJSVTRQXTPM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N5/c1-11-9-14-4-7-18(11)13-8-12(15-10-16-13)17-5-2-3-6-17/h8,10-11,14H,2-7,9H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 247.35 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 98042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).