(Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide

C17H24N6O — CID 139338612

IUPAC(Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide
SMILES[H]/N=C(C(\C(=O)NC)=C(/C)CC)/c1cn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C17H24N6O/c1-6-10(4)12(17(24)20-5)14(18)11-7-23(9(2)3)16-13(11)15(19)21-8-22-16/h7-9,18H,6H2,1-5H3,(H,20,24)(H2,19,21,22)/b12-10-,18-14-
InChIKeyLYCAKVVZBQDPFH-KHYUPNNASA-N
MW328.42 g/mol
LogP2.43
Rot. Bonds5

About (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide

(Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide (PubChem CID 139338612) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide
PubChem CID139338612
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide
SMILES[H]/N=C(C(\C(=O)NC)=C(/C)CC)/c1cn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C17H24N6O/c1-6-10(4)12(17(24)20-5)14(18)11-7-23(9(2)3)16-13(11)15(19)21-8-22-16/h7-9,18H,6H2,1-5H3,(H,20,24)(H2,19,21,22)/b12-10-,18-14-
InChIKeyLYCAKVVZBQDPFH-KHYUPNNASA-N
XLogP2.43
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide 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

(4-amino-7-butan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone
CID 141090867
N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]butanamide
CID 166552033
N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3,4-dichlorobenzenesulfonamide
CID 67219689
1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methylphenyl]-3-(3,5-dichlorophenyl)urea
CID 67218955
N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-chlorophenyl]-4-chlorobenzenesulfonamide
CID 67220044
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]-3-propylurea
CID 166552088
1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,6-difluorophenyl)urea
CID 10095290
3-[2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)ethynyl]-N-cyclopropyl-4-methylbenzamide
CID 86292777
N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methylphenyl]-2,4-dichlorobenzenesulfonamide
CID 67219741
1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-chlorophenyl]-3-phenylurea
CID 67219823
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59021381

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide?
The IUPAC name of (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide (CID 139338612) is (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide?
The canonical SMILES for (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide is [H]/N=C(C(\C(=O)NC)=C(/C)CC)/c1cn(C(C)C)c2ncnc(N)c12.
What is the InChIKey of (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide?
The InChIKey is LYCAKVVZBQDPFH-KHYUPNNASA-N. The full InChI is InChI=1S/C17H24N6O/c1-6-10(4)12(17(24)20-5)14(18)11-7-23(9(2)3)16-13(11)15(19)21-8-22-16/h7-9,18H,6H2,1-5H3,(H,20,24)(H2,19,21,22)/b12-10-,18-14-.
What are the key properties of (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide?
(Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide has a molecular weight of 328.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboximidoyl)-N,3-dimethylpent-2-enamide is sourced from PubChem (CID 139338612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).