6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione

C14H18N4O3 — CID 2429003

IUPAC6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20)
InChIKeyFGUMUZKTCACZCX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.38
Rot. Bonds6

About 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 2429003) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID2429003
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20)
InChIKeyFGUMUZKTCACZCX-UHFFFAOYSA-N
XLogP0.38
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 2429003) is 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is FGUMUZKTCACZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2429003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).