6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C13H24N4O4 — CID 62517996

IUPAC6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCCC(CC)(CO)Nc1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O4/c1-4-13(5-2,8-18)16-9-10(14)17(6-7-21-3)12(20)15-11(9)19/h16,18H,4-8,14H2,1-3H3,(H,15,19,20)
InChIKeyWLWTVVBRURTKKU-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.27
Rot. Bonds8

About 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 62517996) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID62517996
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCCC(CC)(CO)Nc1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O4/c1-4-13(5-2,8-18)16-9-10(14)17(6-7-21-3)12(20)15-11(9)19/h16,18H,4-8,14H2,1-3H3,(H,15,19,20)
InChIKeyWLWTVVBRURTKKU-UHFFFAOYSA-N
XLogP-0.27
TPSA122.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106214870
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 106192155
6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60661650
6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
CID 62525076
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
CID 65048686

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 62517996) is 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is CCC(CC)(CO)Nc1c(N)n(CCOC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is WLWTVVBRURTKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-4-13(5-2,8-18)16-9-10(14)17(6-7-21-3)12(20)15-11(9)19/h16,18H,4-8,14H2,1-3H3,(H,15,19,20).
What are the key properties of 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of -0.27, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 62517996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).