6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione

C12H19N5O4 — CID 115579965

IUPAC6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCC(=O)N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N5O4/c1-16-10(13)9(11(19)15-12(16)20)14-3-2-8(18)17-4-6-21-7-5-17/h14H,2-7,13H2,1H3,(H,15,19,20)
InChIKeyFUMWVFIELPMHRM-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.68
Rot. Bonds4

About 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione (PubChem CID 115579965) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
PubChem CID115579965
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
SMILESCn1c(N)c(NCCC(=O)N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N5O4/c1-16-10(13)9(11(19)15-12(16)20)14-3-2-8(18)17-4-6-21-7-5-17/h14H,2-7,13H2,1H3,(H,15,19,20)
InChIKeyFUMWVFIELPMHRM-UHFFFAOYSA-N
XLogP-1.68
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione (CID 115579965) is 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione is Cn1c(N)c(NCCC(=O)N2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione?
The InChIKey is FUMWVFIELPMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-16-10(13)9(11(19)15-12(16)20)14-3-2-8(18)17-4-6-21-7-5-17/h14H,2-7,13H2,1H3,(H,15,19,20).
What are the key properties of 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione has a molecular weight of 297.31 g/mol, XLogP of -1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 115579965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).