N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine

C20H23N9 — CID 53339643

IUPACN-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cnc(/C=C/c3ccc(N)cn3)cn2)cc(N2CCNCC2)n1
InChIInChI=1S/C20H23N9/c1-14-26-18(10-20(27-14)29-8-6-22-7-9-29)28-19-13-24-17(12-25-19)5-4-16-3-2-15(21)11-23-16/h2-5,10-13,22H,6-9,21H2,1H3,(H,25,26,27,28)/b5-4+
InChIKeyAXFFVLNRYKMMMM-SNAWJCMRSA-N
MW389.47 g/mol
LogP1.88
Rot. Bonds5

About N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine

N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 53339643) has the molecular formula C20H23N9 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID53339643
Molecular FormulaC20H23N9
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cnc(/C=C/c3ccc(N)cn3)cn2)cc(N2CCNCC2)n1
InChIInChI=1S/C20H23N9/c1-14-26-18(10-20(27-14)29-8-6-22-7-9-29)28-19-13-24-17(12-25-19)5-4-16-3-2-15(21)11-23-16/h2-5,10-13,22H,6-9,21H2,1H3,(H,25,26,27,28)/b5-4+
InChIKeyAXFFVLNRYKMMMM-SNAWJCMRSA-N
XLogP1.88
TPSA117.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine with MolForge

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Related Compounds

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CID 89683805
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CID 24801862
N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
CID 163890
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
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CID 2725962

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine (CID 53339643) is N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine is Cc1nc(Nc2cnc(/C=C/c3ccc(N)cn3)cn2)cc(N2CCNCC2)n1.
What is the InChIKey of N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is AXFFVLNRYKMMMM-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H23N9/c1-14-26-18(10-20(27-14)29-8-6-22-7-9-29)28-19-13-24-17(12-25-19)5-4-16-3-2-15(21)11-23-16/h2-5,10-13,22H,6-9,21H2,1H3,(H,25,26,27,28)/b5-4+.
What are the key properties of N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine?
N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 389.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(5-amino-2-pyridinyl)ethenyl]pyrazin-2-yl]-2-methyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53339643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).