5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione

C9H15N3O3 — CID 141223435

IUPAC5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESCOCC(C)NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-6(5-15-2)10-3-7-4-11-9(14)12-8(7)13/h4,6,10H,3,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyWIHOVWVURQUFIP-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.81
Rot. Bonds5

About 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione

5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 141223435) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione
PubChem CID141223435
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESCOCC(C)NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-6(5-15-2)10-3-7-4-11-9(14)12-8(7)13/h4,6,10H,3,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyWIHOVWVURQUFIP-UHFFFAOYSA-N
XLogP-0.81
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione (CID 141223435) is 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione is COCC(C)NCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WIHOVWVURQUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(5-15-2)10-3-7-4-11-9(14)12-8(7)13/h4,6,10H,3,5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione?
5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 213.24 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 141223435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).