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

C13H23N5O3 — CID 2398060

IUPAC6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H23N5O3/c1-2-4-18-11(14)10(12(19)16-13(18)20)15-3-5-17-6-8-21-9-7-17/h15H,2-9,14H2,1H3,(H,16,19,20)
InChIKeyCDJFAUMDUMUUDI-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.73
Rot. Bonds6

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

6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 2398060) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
PubChem CID2398060
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H23N5O3/c1-2-4-18-11(14)10(12(19)16-13(18)20)15-3-5-17-6-8-21-9-7-17/h15H,2-9,14H2,1H3,(H,16,19,20)
InChIKeyCDJFAUMDUMUUDI-UHFFFAOYSA-N
XLogP-0.73
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103844290
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
CID 61019816
6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103847814
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione (CID 2398060) is 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is CDJFAUMDUMUUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-2-4-18-11(14)10(12(19)16-13(18)20)15-3-5-17-6-8-21-9-7-17/h15H,2-9,14H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 297.36 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2398060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).