N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide

C17H28N6O — CID 71126265

IUPACN-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCCC1CNc2ncnc(N3CC[C@](N)(CNC(=O)C(C)C)C3)c21
InChIInChI=1S/C17H28N6O/c1-4-12-7-19-14-13(12)15(22-10-21-14)23-6-5-17(18,9-23)8-20-16(24)11(2)3/h10-12H,4-9,18H2,1-3H3,(H,20,24)(H,19,21,22)/t12?,17-/m0/s1
InChIKeyQXVREODLOZDHLP-TYJDENFWSA-N
MW332.45 g/mol
LogP1.08
Rot. Bonds5

About N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide

N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 71126265) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
PubChem CID71126265
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC NameN-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCCC1CNc2ncnc(N3CC[C@](N)(CNC(=O)C(C)C)C3)c21
InChIInChI=1S/C17H28N6O/c1-4-12-7-19-14-13(12)15(22-10-21-14)23-6-5-17(18,9-23)8-20-16(24)11(2)3/h10-12H,4-9,18H2,1-3H3,(H,20,24)(H,19,21,22)/t12?,17-/m0/s1
InChIKeyQXVREODLOZDHLP-TYJDENFWSA-N
XLogP1.08
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (CID 71126265) is N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is CCC1CNc2ncnc(N3CC[C@](N)(CNC(=O)C(C)C)C3)c21.
What is the InChIKey of N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is QXVREODLOZDHLP-TYJDENFWSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-12-7-19-14-13(12)15(22-10-21-14)23-6-5-17(18,9-23)8-20-16(24)11(2)3/h10-12H,4-9,18H2,1-3H3,(H,20,24)(H,19,21,22)/t12?,17-/m0/s1.
What are the key properties of N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 332.45 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-amino-1-(5-ethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 71126265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).