4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one

C12H19N5O2 — CID 50957114

IUPAC4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCC(C)Oc1cc(N2CCCNC(=O)C2)nc(N)n1
InChIInChI=1S/C12H19N5O2/c1-8(2)19-11-6-9(15-12(13)16-11)17-5-3-4-14-10(18)7-17/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyGMNNOJIMSUEZOO-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.17
Rot. Bonds3

About 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one

4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 50957114) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID50957114
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCC(C)Oc1cc(N2CCCNC(=O)C2)nc(N)n1
InChIInChI=1S/C12H19N5O2/c1-8(2)19-11-6-9(15-12(13)16-11)17-5-3-4-14-10(18)7-17/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyGMNNOJIMSUEZOO-UHFFFAOYSA-N
XLogP0.17
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one (CID 50957114) is 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one is CC(C)Oc1cc(N2CCCNC(=O)C2)nc(N)n1.
What is the InChIKey of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is GMNNOJIMSUEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)19-11-6-9(15-12(13)16-11)17-5-3-4-14-10(18)7-17/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H2,13,15,16).
What are the key properties of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one?
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 265.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 50957114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).