6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine

C17H23N7O2 — CID 53318782

IUPAC6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESNc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(H,21,22,23)
InChIKeyRNQKMWDKLIRSBO-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.94
Rot. Bonds4

About 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine

6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 53318782) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID53318782
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESNc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(H,21,22,23)
InChIKeyRNQKMWDKLIRSBO-UHFFFAOYSA-N
XLogP0.94
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine (CID 53318782) is 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine is Nc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is RNQKMWDKLIRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(H,21,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine?
6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 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-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 53318782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).