4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide

C20H23N5O3 — CID 68753239

IUPAC4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1
InChIInChI=1S/C20H23N5O3/c1-27-11-2-10-21-19(26)13-3-5-15(6-4-13)23-20-24-16-9-12-28-17(16)18(25-20)22-14-7-8-14/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZPEYHVSGRKTRRX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.31
Rot. Bonds9

About 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide

4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 68753239) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID68753239
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1
InChIInChI=1S/C20H23N5O3/c1-27-11-2-10-21-19(26)13-3-5-15(6-4-13)23-20-24-16-9-12-28-17(16)18(25-20)22-14-7-8-14/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZPEYHVSGRKTRRX-UHFFFAOYSA-N
XLogP3.31
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine
CID 67129995
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
6-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indazole-3-carbonitrile
CID 68751535
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4-(cyclobutylamino)-6-[(4-hydroxycyclohexyl)amino]-1,3,5-triazin-2-yl]amino]benzamide
CID 23956676
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911440
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide (CID 68753239) is 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1.
What is the InChIKey of 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is ZPEYHVSGRKTRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-11-2-10-21-19(26)13-3-5-15(6-4-13)23-20-24-16-9-12-28-17(16)18(25-20)22-14-7-8-14/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide?
4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 68753239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).