6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine

C15H17N9O — CID 42613649

IUPAC6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESNc1ncc(-c2cc(Nc3ccn[nH]3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H17N9O/c16-14-17-8-10(9-18-14)11-7-13(21-12-1-2-19-23-12)22-15(20-11)24-3-5-25-6-4-24/h1-2,7-9H,3-6H2,(H2,16,17,18)(H2,19,20,21,22,23)
InChIKeyIVSMJLYHIHJPJH-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.82
Rot. Bonds4

About 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine

6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine (PubChem CID 42613649) has the molecular formula C15H17N9O and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
PubChem CID42613649
Molecular FormulaC15H17N9O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESNc1ncc(-c2cc(Nc3ccn[nH]3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H17N9O/c16-14-17-8-10(9-18-14)11-7-13(21-12-1-2-19-23-12)22-15(20-11)24-3-5-25-6-4-24/h1-2,7-9H,3-6H2,(H2,16,17,18)(H2,19,20,21,22,23)
InChIKeyIVSMJLYHIHJPJH-UHFFFAOYSA-N
XLogP0.82
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine (CID 42613649) is 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine is Nc1ncc(-c2cc(Nc3ccn[nH]3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The InChIKey is IVSMJLYHIHJPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9O/c16-14-17-8-10(9-18-14)11-7-13(21-12-1-2-19-23-12)22-15(20-11)24-3-5-25-6-4-24/h1-2,7-9H,3-6H2,(H2,16,17,18)(H2,19,20,21,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine has a molecular weight of 339.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 42613649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).