4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine

C20H26N8 — CID 165132606

IUPAC4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccnc(N)n4)nc23)CC1
InChIInChI=1S/C20H26N8/c1-26-6-8-27(9-7-26)17-10-15(14-2-3-14)12-28-13-16(24-19(17)28)11-23-18-4-5-22-20(21)25-18/h4-5,10,12-14H,2-3,6-9,11H2,1H3,(H3,21,22,23,25)
InChIKeyWTMAPOKRFZFIRT-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.95
Rot. Bonds5

About 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine

4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 165132606) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID165132606
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccnc(N)n4)nc23)CC1
InChIInChI=1S/C20H26N8/c1-26-6-8-27(9-7-26)17-10-15(14-2-3-14)12-28-13-16(24-19(17)28)11-23-18-4-5-22-20(21)25-18/h4-5,10,12-14H,2-3,6-9,11H2,1H3,(H3,21,22,23,25)
InChIKeyWTMAPOKRFZFIRT-UHFFFAOYSA-N
XLogP1.95
TPSA87.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine (CID 165132606) is 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine is CN1CCN(c2cc(C3CC3)cn3cc(CNc4ccnc(N)n4)nc23)CC1.
What is the InChIKey of 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is WTMAPOKRFZFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-26-6-8-27(9-7-26)17-10-15(14-2-3-14)12-28-13-16(24-19(17)28)11-23-18-4-5-22-20(21)25-18/h4-5,10,12-14H,2-3,6-9,11H2,1H3,(H3,21,22,23,25).
What are the key properties of 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine?
4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 165132606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).