4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine

C19H16ClN11 — CID 118981864

IUPAC4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine
SMILESC[C@H](Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1
InChIInChI=1S/C19H16ClN11/c1-10(25-18-15(17(21)23-9-24-18)19-26-29-30-27-19)12-7-14-22-8-13(20)31(14)28-16(12)11-5-3-2-4-6-11/h2-10H,1H3,(H3,21,23,24,25)(H,26,27,29,30)/t10-/m0/s1
InChIKeyQRMOVIQTJVHSBS-JTQLQIEISA-N
MW433.87 g/mol
LogP2.78
Rot. Bonds5

About 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine

4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine (PubChem CID 118981864) has the molecular formula C19H16ClN11 and a molecular weight of 433.87 g/mol. Its IUPAC name is 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine
PubChem CID118981864
Molecular FormulaC19H16ClN11
Molecular Weight433.87 g/mol
Exact Mass433.13
IUPAC Name4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine
SMILESC[C@H](Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1
InChIInChI=1S/C19H16ClN11/c1-10(25-18-15(17(21)23-9-24-18)19-26-29-30-27-19)12-7-14-22-8-13(20)31(14)28-16(12)11-5-3-2-4-6-11/h2-10H,1H3,(H3,21,23,24,25)(H,26,27,29,30)/t10-/m0/s1
InChIKeyQRMOVIQTJVHSBS-JTQLQIEISA-N
XLogP2.78
TPSA148.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine (CID 118981864) is 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine is C[C@H](Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1.
What is the InChIKey of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine?
The InChIKey is QRMOVIQTJVHSBS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16ClN11/c1-10(25-18-15(17(21)23-9-24-18)19-26-29-30-27-19)12-7-14-22-8-13(20)31(14)28-16(12)11-5-3-2-4-6-11/h2-10H,1H3,(H3,21,23,24,25)(H,26,27,29,30)/t10-/m0/s1.
What are the key properties of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine?
4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine has a molecular weight of 433.87 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(2H-tetrazol-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 118981864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).