2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine

C18H25N5O2S — CID 95844644

IUPAC2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2ncccc2C)cc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C18H25N5O2S/c1-12(2)26(24,25)23-9-7-15(11-23)16-10-17(21-14(4)20-16)22-18-13(3)6-5-8-19-18/h5-6,8,10,12,15H,7,9,11H2,1-4H3,(H,19,20,21,22)/t15-/m1/s1
InChIKeyMPXNCJXVLULMRQ-OAHLLOKOSA-N
MW375.50 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine

2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 95844644) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID95844644
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2ncccc2C)cc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C18H25N5O2S/c1-12(2)26(24,25)23-9-7-15(11-23)16-10-17(21-14(4)20-16)22-18-13(3)6-5-8-19-18/h5-6,8,10,12,15H,7,9,11H2,1-4H3,(H,19,20,21,22)/t15-/m1/s1
InChIKeyMPXNCJXVLULMRQ-OAHLLOKOSA-N
XLogP2.76
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95823853
2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110269928
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269647
2-methyl-N-(3-methyl-2-pyridinyl)-6-[1-(2-methylpyrimidin-4-yl)azetidin-2-yl]pyrimidin-4-amine
CID 110270296
6-methyl-N-(3-methyl-2-pyridinyl)-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95842210
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110265497
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 95837598
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
CID 175662618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine (CID 95844644) is 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine is Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)n1.
What is the InChIKey of 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is MPXNCJXVLULMRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-12(2)26(24,25)23-9-7-15(11-23)16-10-17(21-14(4)20-16)22-18-13(3)6-5-8-19-18/h5-6,8,10,12,15H,7,9,11H2,1-4H3,(H,19,20,21,22)/t15-/m1/s1.
What are the key properties of 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine?
2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95844644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).