8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine

C21H28N8O — CID 167046550

IUPAC8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine
SMILESCC(C)CN(N)c1c(N)ccc2cnc(Nc3ccc(N4CCOCC4)cn3)nc12
InChIInChI=1S/C21H28N8O/c1-14(2)13-29(23)20-17(22)5-3-15-11-25-21(27-19(15)20)26-18-6-4-16(12-24-18)28-7-9-30-10-8-28/h3-6,11-12,14H,7-10,13,22-23H2,1-2H3,(H,24,25,26,27)
InChIKeyPQDPJOSDNLSHOO-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.52
Rot. Bonds6

About 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine

8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine (PubChem CID 167046550) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine.

Molecular Properties

Compound Name8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine
PubChem CID167046550
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine
SMILESCC(C)CN(N)c1c(N)ccc2cnc(Nc3ccc(N4CCOCC4)cn3)nc12
InChIInChI=1S/C21H28N8O/c1-14(2)13-29(23)20-17(22)5-3-15-11-25-21(27-19(15)20)26-18-6-4-16(12-24-18)28-7-9-30-10-8-28/h3-6,11-12,14H,7-10,13,22-23H2,1-2H3,(H,24,25,26,27)
InChIKeyPQDPJOSDNLSHOO-UHFFFAOYSA-N
XLogP2.52
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081
1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
CID 154938985
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
8-[amino(propan-2-yl)amino]-2-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046293
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-3-propan-2-yl-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 155077752
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 167570805
1-[7-[1-(aminomethyl)cyclohexyl]-2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]ethanone
CID 123827312
1-[2-[[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]amino]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529554
2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 134256325
N-(5-morpholin-4-yl-2-pyridinyl)spiro[11-oxa-1,3,5,13-tetrazatetracyclo[7.6.0.02,7.010,12]pentadeca-2,4,6,8-tetraene-15,1'-cyclopentane]-4-amine
CID 146246858

Frequently Asked Questions

What is the IUPAC name of 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine?
The IUPAC name of 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine (CID 167046550) is 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine.
What is the SMILES notation for 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine?
The canonical SMILES for 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine is CC(C)CN(N)c1c(N)ccc2cnc(Nc3ccc(N4CCOCC4)cn3)nc12.
What is the InChIKey of 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine?
The InChIKey is PQDPJOSDNLSHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-14(2)13-29(23)20-17(22)5-3-15-11-25-21(27-19(15)20)26-18-6-4-16(12-24-18)28-7-9-30-10-8-28/h3-6,11-12,14H,7-10,13,22-23H2,1-2H3,(H,24,25,26,27).
What are the key properties of 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine?
8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine has a molecular weight of 408.51 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine is sourced from PubChem (CID 167046550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).