1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

C20H23N7O2 — CID 143924916

IUPAC1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILES[H]/N=C(\c1cc2ccc(O)cc2[nH]1)c1c(N)ncnc1NC1CCN(C(C)=O)CC1
InChIInChI=1S/C20H23N7O2/c1-11(28)27-6-4-13(5-7-27)25-20-17(19(22)23-10-24-20)18(21)16-8-12-2-3-14(29)9-15(12)26-16/h2-3,8-10,13,21,26,29H,4-7H2,1H3,(H3,22,23,24,25)/b21-18+
InChIKeySDGIWCBMRKZHBI-DYTRJAOYSA-N
MW393.45 g/mol
LogP2.08
Rot. Bonds4

About 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 143924916) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
PubChem CID143924916
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILES[H]/N=C(\c1cc2ccc(O)cc2[nH]1)c1c(N)ncnc1NC1CCN(C(C)=O)CC1
InChIInChI=1S/C20H23N7O2/c1-11(28)27-6-4-13(5-7-27)25-20-17(19(22)23-10-24-20)18(21)16-8-12-2-3-14(29)9-15(12)26-16/h2-3,8-10,13,21,26,29H,4-7H2,1H3,(H3,22,23,24,25)/b21-18+
InChIKeySDGIWCBMRKZHBI-DYTRJAOYSA-N
XLogP2.08
TPSA144.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-amino-6-(propan-2-ylamino)pyrimidine-5-carboximidoyl]-1H-indol-6-ol
CID 155199618
[4-[[6-amino-5-(7-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]-cyclopropylmethanone
CID 137124159
1-[4-[[6-amino-5-(2-amino-1-benzofuran-5-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 123457888
5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 136593338
4-[4-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-5-carboximidoyl]benzoic acid
CID 144819373
tert-butyl (3R)-3-[[6-amino-5-(4-aminobenzenecarboximidoyl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 88960620
3-[[6-amino-5-(5-fluoro-6-prop-2-enoxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]-3,4-dihydro-2H-quinoline-1-carbaldehyde;prop-1-ene
CID 144832358
4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine
CID 145120459
[6-amino-5-(5-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]-(4-morpholin-4-ylcyclohexyl)azanium
CID 144716953
3-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidoyl]-4-chlorophenol
CID 144832436
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
4-N-cyclopentyl-5-(2-methyl-1,3-benzothiazole-6-carboximidoyl)pyrimidine-4,6-diamine
CID 91258608

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (CID 143924916) is 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is [H]/N=C(\c1cc2ccc(O)cc2[nH]1)c1c(N)ncnc1NC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is SDGIWCBMRKZHBI-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-11(28)27-6-4-13(5-7-27)25-20-17(19(22)23-10-24-20)18(21)16-8-12-2-3-14(29)9-15(12)26-16/h2-3,8-10,13,21,26,29H,4-7H2,1H3,(H3,22,23,24,25)/b21-18+.
What are the key properties of 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 393.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-amino-5-(6-hydroxy-1H-indole-2-carboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 143924916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).