5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C19H19N9O — CID 73057143

IUPAC5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCn1cc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)cn1
InChIInChI=1S/C19H19N9O/c1-27-11-14(10-24-27)12-6-15-16(21-7-12)18(28-2-4-29-5-3-28)26-17(25-15)13-8-22-19(20)23-9-13/h6-11H,2-5H2,1H3,(H2,20,22,23)
InChIKeyFZKJCFTYXAUWME-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.30
Rot. Bonds3

About 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 73057143) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID73057143
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCn1cc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)cn1
InChIInChI=1S/C19H19N9O/c1-27-11-14(10-24-27)12-6-15-16(21-7-12)18(28-2-4-29-5-3-28)26-17(25-15)13-8-22-19(20)23-9-13/h6-11H,2-5H2,1H3,(H2,20,22,23)
InChIKeyFZKJCFTYXAUWME-UHFFFAOYSA-N
XLogP1.30
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 73057143) is 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Cn1cc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)cn1.
What is the InChIKey of 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is FZKJCFTYXAUWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-27-11-14(10-24-27)12-6-15-16(21-7-12)18(28-2-4-29-5-3-28)26-17(25-15)13-8-22-19(20)23-9-13/h6-11H,2-5H2,1H3,(H2,20,22,23).
What are the key properties of 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 389.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 73057143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).