4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C13H18N6 — CID 95599907

IUPAC4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC[C@@H]2Cn2cccn2)nc(N)n1
InChIInChI=1S/C13H18N6/c1-10-8-12(17-13(14)16-10)19-7-2-4-11(19)9-18-6-3-5-15-18/h3,5-6,8,11H,2,4,7,9H2,1H3,(H2,14,16,17)/t11-/m1/s1
InChIKeyBBLCTIYGTTWQTN-LLVKDONJSA-N
MW258.33 g/mol
LogP1.23
Rot. Bonds3

About 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine

4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 95599907) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID95599907
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC[C@@H]2Cn2cccn2)nc(N)n1
InChIInChI=1S/C13H18N6/c1-10-8-12(17-13(14)16-10)19-7-2-4-11(19)9-18-6-3-5-15-18/h3,5-6,8,11H,2,4,7,9H2,1H3,(H2,14,16,17)/t11-/m1/s1
InChIKeyBBLCTIYGTTWQTN-LLVKDONJSA-N
XLogP1.23
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 47299157
2-ethyl-4-methyl-6-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 119038345
6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95308098
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide
CID 131925793
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 78989317
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95342323
4-[(2S)-2-[(2S)-pentan-2-yl]pyrrolidin-1-yl]-6-pyrazol-1-ylpyrimidin-2-amine
CID 97158763

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 95599907) is 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC[C@@H]2Cn2cccn2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is BBLCTIYGTTWQTN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-8-12(17-13(14)16-10)19-7-2-4-11(19)9-18-6-3-5-15-18/h3,5-6,8,11H,2,4,7,9H2,1H3,(H2,14,16,17)/t11-/m1/s1.
What are the key properties of 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 95599907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).