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

C11H18N4O3 — CID 39100640

IUPAC6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(CN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-2-15-9(12)8(10(16)13-11(15)17)7-14-3-5-18-6-4-14/h2-7,12H2,1H3,(H,13,16,17)
InChIKeyLHCWHGDNVPPWPO-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.03
Rot. Bonds3

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

6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 39100640) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID39100640
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(CN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-2-15-9(12)8(10(16)13-11(15)17)7-14-3-5-18-6-4-14/h2-7,12H2,1H3,(H,13,16,17)
InChIKeyLHCWHGDNVPPWPO-UHFFFAOYSA-N
XLogP-1.03
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (CID 39100640) is 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is CCn1c(N)c(CN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is LHCWHGDNVPPWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-15-9(12)8(10(16)13-11(15)17)7-14-3-5-18-6-4-14/h2-7,12H2,1H3,(H,13,16,17).
What are the key properties of 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 39100640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).