5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine

C16H18N10O — CID 53322733

IUPAC5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine
SMILESNc1ncc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C16H18N10O/c17-14-19-6-10(7-20-14)12-5-13(23-11-8-21-15(18)22-9-11)25-16(24-12)26-1-3-27-4-2-26/h5-9H,1-4H2,(H2,17,19,20)(H2,18,21,22)(H,23,24,25)
InChIKeyVSQDJYYVAYRMKC-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.47
Rot. Bonds4

About 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine

5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine (PubChem CID 53322733) has the molecular formula C16H18N10O and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine
PubChem CID53322733
Molecular FormulaC16H18N10O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine
SMILESNc1ncc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C16H18N10O/c17-14-19-6-10(7-20-14)12-5-13(23-11-8-21-15(18)22-9-11)25-16(24-12)26-1-3-27-4-2-26/h5-9H,1-4H2,(H2,17,19,20)(H2,18,21,22)(H,23,24,25)
InChIKeyVSQDJYYVAYRMKC-UHFFFAOYSA-N
XLogP0.47
TPSA153.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine?
The IUPAC name of 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine (CID 53322733) is 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine?
The canonical SMILES for 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine is Nc1ncc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine?
The InChIKey is VSQDJYYVAYRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10O/c17-14-19-6-10(7-20-14)12-5-13(23-11-8-21-15(18)22-9-11)25-16(24-12)26-1-3-27-4-2-26/h5-9H,1-4H2,(H2,17,19,20)(H2,18,21,22)(H,23,24,25).
What are the key properties of 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine?
5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine has a molecular weight of 366.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,5-diamine is sourced from PubChem (CID 53322733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).