N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

C18H28N4OS — CID 96569982

IUPACN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C18H28N4OS/c1-11(2)16-19-12(3)15(18(21-16)24-4)17(23)20-14-7-8-22(10-14)9-13-5-6-13/h11,13-14H,5-10H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyIYHGUNDDKUWQSA-AWEZNQCLSA-N
MW348.52 g/mol
LogP2.84
Rot. Bonds6

About N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 96569982) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID96569982
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C18H28N4OS/c1-11(2)16-19-12(3)15(18(21-16)24-4)17(23)20-14-7-8-22(10-14)9-13-5-6-13/h11,13-14H,5-10H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyIYHGUNDDKUWQSA-AWEZNQCLSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide 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

N-[3-(azepan-1-yl)propyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 86922677
(3-hydroxypiperidin-1-yl)-(4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 78847736
4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 86929857
4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847831
4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 71982047
N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
CID 95616964
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78886060
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
CID 71932185
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 32527060
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 124732224
N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78848024

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 96569982) is N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCN(CC2CC2)C1.
What is the InChIKey of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IYHGUNDDKUWQSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-11(2)16-19-12(3)15(18(21-16)24-4)17(23)20-14-7-8-22(10-14)9-13-5-6-13/h11,13-14H,5-10H2,1-4H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 96569982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).