N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine

C12H16N6O2 — CID 122282602

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nnc(CNc2cc(N3CCOCC3)ncn2)o1
InChIInChI=1S/C12H16N6O2/c1-9-16-17-12(20-9)7-13-10-6-11(15-8-14-10)18-2-4-19-5-3-18/h6,8H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyQGGLLQKATCXLJK-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.62
Rot. Bonds4

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 122282602) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID122282602
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nnc(CNc2cc(N3CCOCC3)ncn2)o1
InChIInChI=1S/C12H16N6O2/c1-9-16-17-12(20-9)7-13-10-6-11(15-8-14-10)18-2-4-19-5-3-18/h6,8H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyQGGLLQKATCXLJK-UHFFFAOYSA-N
XLogP0.62
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 122282602) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine is Cc1nnc(CNc2cc(N3CCOCC3)ncn2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is QGGLLQKATCXLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9-16-17-12(20-9)7-13-10-6-11(15-8-14-10)18-2-4-19-5-3-18/h6,8H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122282602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).