6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione

C12H20N4O3 — CID 39100688

IUPAC6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(CN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-2-3-16-10(13)9(11(17)14-12(16)18)8-15-4-6-19-7-5-15/h2-8,13H2,1H3,(H,14,17,18)
InChIKeyLYUGKDJMMZDKBH-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.64
Rot. Bonds4

About 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione

6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 39100688) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione
PubChem CID39100688
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(CN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-2-3-16-10(13)9(11(17)14-12(16)18)8-15-4-6-19-7-5-15/h2-8,13H2,1H3,(H,14,17,18)
InChIKeyLYUGKDJMMZDKBH-UHFFFAOYSA-N
XLogP-0.64
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione (CID 39100688) is 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(CN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is LYUGKDJMMZDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-3-16-10(13)9(11(17)14-12(16)18)8-15-4-6-19-7-5-15/h2-8,13H2,1H3,(H,14,17,18).
What are the key properties of 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 39100688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).