N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

C17H25N7O2 — CID 139293306

IUPACN-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCC3)cc2n1
InChIInChI=1S/C17H25N7O2/c1-18-23-17-21-12-10-13(16(25)19-11-4-2-3-5-11)20-14(12)15(22-17)24-6-8-26-9-7-24/h10-11,18,20H,2-9H2,1H3,(H,19,25)(H,21,22,23)
InChIKeyQAYFEZUJFJQJDA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.01
Rot. Bonds5

About N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 139293306) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
PubChem CID139293306
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCC3)cc2n1
InChIInChI=1S/C17H25N7O2/c1-18-23-17-21-12-10-13(16(25)19-11-4-2-3-5-11)20-14(12)15(22-17)24-6-8-26-9-7-24/h10-11,18,20H,2-9H2,1H3,(H,19,25)(H,21,22,23)
InChIKeyQAYFEZUJFJQJDA-UHFFFAOYSA-N
XLogP1.01
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 139292967
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682636
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682644
N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682526
N-cyclohexyl-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731255
N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 138682292
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 59830624
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
CID 145268915
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (CID 139293306) is N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCC3)cc2n1.
What is the InChIKey of N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is QAYFEZUJFJQJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-18-23-17-21-12-10-13(16(25)19-11-4-2-3-5-11)20-14(12)15(22-17)24-6-8-26-9-7-24/h10-11,18,20H,2-9H2,1H3,(H,19,25)(H,21,22,23).
What are the key properties of N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 139293306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).