N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H22N10 — CID 10570921

IUPACN-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC(=N/NC1=NCCCN1)\c1ccc2nc(/C=N/NC3=NCCCN3)cn2c1
InChIInChI=1S/C17H22N10/c1-5-18-16(19-6-1)25-22-9-13-3-4-15-24-14(12-27(15)11-13)10-23-26-17-20-7-2-8-21-17/h3-4,9-12H,1-2,5-8H2,(H2,18,19,25)(H2,20,21,26)/b22-9+,23-10+
InChIKeyTVAJPNYGKMYCRW-HHAMRVRLSA-N
MW366.43 g/mol
LogP-0.12
Rot. Bonds4

About N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 10570921) has the molecular formula C17H22N10 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID10570921
Molecular FormulaC17H22N10
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC NameN-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC(=N/NC1=NCCCN1)\c1ccc2nc(/C=N/NC3=NCCCN3)cn2c1
InChIInChI=1S/C17H22N10/c1-5-18-16(19-6-1)25-22-9-13-3-4-15-24-14(12-27(15)11-13)10-23-26-17-20-7-2-8-21-17/h3-4,9-12H,1-2,5-8H2,(H2,18,19,25)(H2,20,21,26)/b22-9+,23-10+
InChIKeyTVAJPNYGKMYCRW-HHAMRVRLSA-N
XLogP-0.12
TPSA114.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 10570921) is N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is C(=N/NC1=NCCCN1)\c1ccc2nc(/C=N/NC3=NCCCN3)cn2c1.
What is the InChIKey of N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is TVAJPNYGKMYCRW-HHAMRVRLSA-N. The full InChI is InChI=1S/C17H22N10/c1-5-18-16(19-6-1)25-22-9-13-3-4-15-24-14(12-27(15)11-13)10-23-26-17-20-7-2-8-21-17/h3-4,9-12H,1-2,5-8H2,(H2,18,19,25)(H2,20,21,26)/b22-9+,23-10+.
What are the key properties of N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 366.43 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]imidazo[1,2-a]pyridin-6-yl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 10570921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).