3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine

C19H19N9O2 — CID 59137557

IUPAC3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine
SMILESCOc1cc(Nc2nccc(-c3[nH]c(C)nc3-c3cnc(N)c(OC)n3)n2)ccn1
InChIInChI=1S/C19H19N9O2/c1-10-24-15(16(25-10)13-9-23-17(20)18(27-13)30-3)12-5-7-22-19(28-12)26-11-4-6-21-14(8-11)29-2/h4-9H,1-3H3,(H2,20,23)(H,24,25)(H,21,22,26,28)
InChIKeyGDVYSHVRHMFKDB-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.37
Rot. Bonds6

About 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine

3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine (PubChem CID 59137557) has the molecular formula C19H19N9O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine
PubChem CID59137557
Molecular FormulaC19H19N9O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine
SMILESCOc1cc(Nc2nccc(-c3[nH]c(C)nc3-c3cnc(N)c(OC)n3)n2)ccn1
InChIInChI=1S/C19H19N9O2/c1-10-24-15(16(25-10)13-9-23-17(20)18(27-13)30-3)12-5-7-22-19(28-12)26-11-4-6-21-14(8-11)29-2/h4-9H,1-3H3,(H2,20,23)(H,24,25)(H,21,22,26,28)
InChIKeyGDVYSHVRHMFKDB-UHFFFAOYSA-N
XLogP2.37
TPSA149.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine (CID 59137557) is 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine is COc1cc(Nc2nccc(-c3[nH]c(C)nc3-c3cnc(N)c(OC)n3)n2)ccn1.
What is the InChIKey of 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine?
The InChIKey is GDVYSHVRHMFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O2/c1-10-24-15(16(25-10)13-9-23-17(20)18(27-13)30-3)12-5-7-22-19(28-12)26-11-4-6-21-14(8-11)29-2/h4-9H,1-3H3,(H2,20,23)(H,24,25)(H,21,22,26,28).
What are the key properties of 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine?
3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine has a molecular weight of 405.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 59137557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).