5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine

C16H22N8O2 — CID 59507839

IUPAC5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C16H22N8O2/c17-14-11(10-19-15(18)22-14)12-9-13(23-1-5-25-6-2-23)21-16(20-12)24-3-7-26-8-4-24/h9-10H,1-8H2,(H4,17,18,19,22)
InChIKeyBURJZXYDAYWVQP-UHFFFAOYSA-N
MW358.41 g/mol
LogP-0.23
Rot. Bonds3

About 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 59507839) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine
PubChem CID59507839
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC Name5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C16H22N8O2/c17-14-11(10-19-15(18)22-14)12-9-13(23-1-5-25-6-2-23)21-16(20-12)24-3-7-26-8-4-24/h9-10H,1-8H2,(H4,17,18,19,22)
InChIKeyBURJZXYDAYWVQP-UHFFFAOYSA-N
XLogP-0.23
TPSA128.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine (CID 59507839) is 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine is Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(N)n1.
What is the InChIKey of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BURJZXYDAYWVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O2/c17-14-11(10-19-15(18)22-14)12-9-13(23-1-5-25-6-2-23)21-16(20-12)24-3-7-26-8-4-24/h9-10H,1-8H2,(H4,17,18,19,22).
What are the key properties of 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine?
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 358.41 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59507839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).