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

C18H27N7O2 — CID 139292967

IUPACN-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCCC3)cc2n1
InChIInChI=1S/C18H27N7O2/c1-19-24-18-22-13-11-14(17(26)20-12-5-3-2-4-6-12)21-15(13)16(23-18)25-7-9-27-10-8-25/h11-12,19,21H,2-10H2,1H3,(H,20,26)(H,22,23,24)
InChIKeyRWLZUERJWLSINB-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.40
Rot. Bonds5

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

N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 139292967) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
PubChem CID139292967
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCCC3)cc2n1
InChIInChI=1S/C18H27N7O2/c1-19-24-18-22-13-11-14(17(26)20-12-5-3-2-4-6-12)21-15(13)16(23-18)25-7-9-27-10-8-25/h11-12,19,21H,2-10H2,1H3,(H,20,26)(H,22,23,24)
InChIKeyRWLZUERJWLSINB-UHFFFAOYSA-N
XLogP1.40
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.40
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-cyclopentyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 139293306
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-cyclohexyl-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731255
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-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-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341161
tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
CID 145268915
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (CID 139292967) is N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCCC3)cc2n1.
What is the InChIKey of N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is RWLZUERJWLSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-19-24-18-22-13-11-14(17(26)20-12-5-3-2-4-6-12)21-15(13)16(23-18)25-7-9-27-10-8-25/h11-12,19,21H,2-10H2,1H3,(H,20,26)(H,22,23,24).
What are the key properties of N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methylhydrazinyl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 139292967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).