2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

C13H17N5 — CID 124963845

IUPAC2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CC[C@@H](c3ccn[nH]3)C2)cn1
InChIInChI=1S/C13H17N5/c1-10-14-6-11(7-15-10)8-18-5-3-12(9-18)13-2-4-16-17-13/h2,4,6-7,12H,3,5,8-9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyHTCNBLDDFNVIRA-GFCCVEGCSA-N
MW243.31 g/mol
LogP1.50
Rot. Bonds3

About 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 124963845) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID124963845
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CC[C@@H](c3ccn[nH]3)C2)cn1
InChIInChI=1S/C13H17N5/c1-10-14-6-11(7-15-10)8-18-5-3-12(9-18)13-2-4-16-17-13/h2,4,6-7,12H,3,5,8-9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyHTCNBLDDFNVIRA-GFCCVEGCSA-N
XLogP1.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 95817555
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95846034
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
CID 124948771
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131889268
2-methyl-4-[4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 45181117
2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539
2-methyl-5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 118739889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine (CID 124963845) is 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine is Cc1ncc(CN2CC[C@@H](c3ccn[nH]3)C2)cn1.
What is the InChIKey of 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is HTCNBLDDFNVIRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-14-6-11(7-15-10)8-18-5-3-12(9-18)13-2-4-16-17-13/h2,4,6-7,12H,3,5,8-9H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 124963845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).