2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene

C20H26N6O — CID 168901780

IUPAC2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene
SMILESC=CC.CN1CCN(c2cc(N)nc3nc(-c4ccccc4O)cn23)CC1
InChIInChI=1S/C17H20N6O.C3H6/c1-21-6-8-22(9-7-21)16-10-15(18)20-17-19-13(11-23(16)17)12-4-2-3-5-14(12)24;1-3-2/h2-5,10-11,24H,6-9H2,1H3,(H2,18,19,20);3H,1H2,2H3
InChIKeyOVXOFYUGVGVKIP-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.63
Rot. Bonds2

About 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene

2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene (PubChem CID 168901780) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene.

Molecular Properties

Compound Name2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene
PubChem CID168901780
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene
SMILESC=CC.CN1CCN(c2cc(N)nc3nc(-c4ccccc4O)cn23)CC1
InChIInChI=1S/C17H20N6O.C3H6/c1-21-6-8-22(9-7-21)16-10-15(18)20-17-19-13(11-23(16)17)12-4-2-3-5-14(12)24;1-3-2/h2-5,10-11,24H,6-9H2,1H3,(H2,18,19,20);3H,1H2,2H3
InChIKeyOVXOFYUGVGVKIP-UHFFFAOYSA-N
XLogP2.63
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

RP107
CID 448912
Olomoucine Ii
CID 5494414
3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene?
The IUPAC name of 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene (CID 168901780) is 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene.
What is the SMILES notation for 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene?
The canonical SMILES for 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene is C=CC.CN1CCN(c2cc(N)nc3nc(-c4ccccc4O)cn23)CC1.
What is the InChIKey of 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene?
The InChIKey is OVXOFYUGVGVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C3H6/c1-21-6-8-22(9-7-21)16-10-15(18)20-17-19-13(11-23(16)17)12-4-2-3-5-14(12)24;1-3-2/h2-5,10-11,24H,6-9H2,1H3,(H2,18,19,20);3H,1H2,2H3.
What are the key properties of 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene?
2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene has a molecular weight of 366.47 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenol;prop-1-ene is sourced from PubChem (CID 168901780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).