4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine

C23H25ClN8 — CID 66546140

IUPAC4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1
InChIInChI=1S/C23H25ClN8/c24-16-3-1-2-15(12-16)13-29-23-27-9-8-19(31-23)20-14-28-22-21(26-10-11-32(20)22)30-18-6-4-17(25)5-7-18/h1-3,8-12,14,17-18H,4-7,13,25H2,(H,26,30)(H,27,29,31)
InChIKeyPIQVUWXJBAUNNP-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.13
Rot. Bonds6

About 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine

4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine (PubChem CID 66546140) has the molecular formula C23H25ClN8 and a molecular weight of 448.96 g/mol. Its IUPAC name is 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine
PubChem CID66546140
Molecular FormulaC23H25ClN8
Molecular Weight448.96 g/mol
Exact Mass448.19
IUPAC Name4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1
InChIInChI=1S/C23H25ClN8/c24-16-3-1-2-15(12-16)13-29-23-27-9-8-19(31-23)20-14-28-22-21(26-10-11-32(20)22)30-18-6-4-17(25)5-7-18/h1-3,8-12,14,17-18H,4-7,13,25H2,(H,26,30)(H,27,29,31)
InChIKeyPIQVUWXJBAUNNP-UHFFFAOYSA-N
XLogP4.13
TPSA106.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine (CID 66546140) is 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1.
What is the InChIKey of 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
The InChIKey is PIQVUWXJBAUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8/c24-16-3-1-2-15(12-16)13-29-23-27-9-8-19(31-23)20-14-28-22-21(26-10-11-32(20)22)30-18-6-4-17(25)5-7-18/h1-3,8-12,14,17-18H,4-7,13,25H2,(H,26,30)(H,27,29,31).
What are the key properties of 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine has a molecular weight of 448.96 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66546140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).