4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine

C14H19N5O2S — CID 125001125

IUPAC4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
SMILESCc1cc(-c2cc(C[C@H]3CCN(S(C)(=O)=O)C3)ncn2)n[nH]1
InChIInChI=1S/C14H19N5O2S/c1-10-5-14(18-17-10)13-7-12(15-9-16-13)6-11-3-4-19(8-11)22(2,20)21/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeySATGXIGLYSYPCM-LLVKDONJSA-N
MW321.41 g/mol
LogP1.00
Rot. Bonds4

About 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine

4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine (PubChem CID 125001125) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
PubChem CID125001125
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
SMILESCc1cc(-c2cc(C[C@H]3CCN(S(C)(=O)=O)C3)ncn2)n[nH]1
InChIInChI=1S/C14H19N5O2S/c1-10-5-14(18-17-10)13-7-12(15-9-16-13)6-11-3-4-19(8-11)22(2,20)21/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeySATGXIGLYSYPCM-LLVKDONJSA-N
XLogP1.00
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101300
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
4-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 124972485
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101065
2,2-dimethyl-1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110101070
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917
2-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 125014808
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine (CID 125001125) is 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine is Cc1cc(-c2cc(C[C@H]3CCN(S(C)(=O)=O)C3)ncn2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine?
The InChIKey is SATGXIGLYSYPCM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-5-14(18-17-10)13-7-12(15-9-16-13)6-11-3-4-19(8-11)22(2,20)21/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine?
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 125001125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).