2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

C18H31N5O — CID 72845468

IUPAC2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCCCc1cnc(C)nc1N1C[C@H](NC(=O)CNC)[C@@H](C(C)C)C1
InChIInChI=1S/C18H31N5O/c1-6-7-14-8-20-13(4)21-18(14)23-10-15(12(2)3)16(11-23)22-17(24)9-19-5/h8,12,15-16,19H,6-7,9-11H2,1-5H3,(H,22,24)/t15-,16+/m1/s1
InChIKeyBVZBTBMNEUXJIK-CVEARBPZSA-N
MW333.48 g/mol
LogP1.53
Rot. Bonds7

About 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72845468) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72845468
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCCCc1cnc(C)nc1N1C[C@H](NC(=O)CNC)[C@@H](C(C)C)C1
InChIInChI=1S/C18H31N5O/c1-6-7-14-8-20-13(4)21-18(14)23-10-15(12(2)3)16(11-23)22-17(24)9-19-5/h8,12,15-16,19H,6-7,9-11H2,1-5H3,(H,22,24)/t15-,16+/m1/s1
InChIKeyBVZBTBMNEUXJIK-CVEARBPZSA-N
XLogP1.53
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72845468) is 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is CCCc1cnc(C)nc1N1C[C@H](NC(=O)CNC)[C@@H](C(C)C)C1.
What is the InChIKey of 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is BVZBTBMNEUXJIK-CVEARBPZSA-N. The full InChI is InChI=1S/C18H31N5O/c1-6-7-14-8-20-13(4)21-18(14)23-10-15(12(2)3)16(11-23)22-17(24)9-19-5/h8,12,15-16,19H,6-7,9-11H2,1-5H3,(H,22,24)/t15-,16+/m1/s1.
What are the key properties of 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3R,4S)-1-(2-methyl-5-propylpyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72845468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).