[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol

C20H26ClN7O2 — CID 140914847

IUPAC[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl
InChIInChI=1S/C20H26ClN7O2/c1-30-18-8-13(12-29)14(9-15(18)21)16-10-28-11-17(24-3-2-22)19(26-20(28)25-16)27-6-4-23-5-7-27/h8-11,23-24,29H,2-7,12,22H2,1H3
InChIKeyCDOVGXFEENPAGC-UHFFFAOYSA-N
MW431.93 g/mol
LogP1.33
Rot. Bonds7

About [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol

[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol (PubChem CID 140914847) has the molecular formula C20H26ClN7O2 and a molecular weight of 431.93 g/mol. Its IUPAC name is [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
PubChem CID140914847
Molecular FormulaC20H26ClN7O2
Molecular Weight431.93 g/mol
Exact Mass431.18
IUPAC Name[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl
InChIInChI=1S/C20H26ClN7O2/c1-30-18-8-13(12-29)14(9-15(18)21)16-10-28-11-17(24-3-2-22)19(26-20(28)25-16)27-6-4-23-5-7-27/h8-11,23-24,29H,2-7,12,22H2,1H3
InChIKeyCDOVGXFEENPAGC-UHFFFAOYSA-N
XLogP1.33
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol (CID 140914847) is [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl.
What is the InChIKey of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
The InChIKey is CDOVGXFEENPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN7O2/c1-30-18-8-13(12-29)14(9-15(18)21)16-10-28-11-17(24-3-2-22)19(26-20(28)25-16)27-6-4-23-5-7-27/h8-11,23-24,29H,2-7,12,22H2,1H3.
What are the key properties of [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol?
[2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol has a molecular weight of 431.93 g/mol, XLogP of 1.33, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-aminoethylamino)-7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).