4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione

C11H17N5O3 — CID 175318366

IUPAC4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione
SMILESCCCn1ccc(N)nc1=O.O=C1CCNC(=O)N1
InChIInChI=1S/C7H11N3O.C4H6N2O2/c1-2-4-10-5-3-6(8)9-7(10)11;7-3-1-2-5-4(8)6-3/h3,5H,2,4H2,1H3,(H2,8,9,11);1-2H2,(H2,5,6,7,8)
InChIKeyUCGAJSIKNVAVQX-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.55
Rot. Bonds2

About 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione

4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione (PubChem CID 175318366) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione
PubChem CID175318366
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione
SMILESCCCn1ccc(N)nc1=O.O=C1CCNC(=O)N1
InChIInChI=1S/C7H11N3O.C4H6N2O2/c1-2-4-10-5-3-6(8)9-7(10)11;7-3-1-2-5-4(8)6-3/h3,5H,2,4H2,1H3,(H2,8,9,11);1-2H2,(H2,5,6,7,8)
InChIKeyUCGAJSIKNVAVQX-UHFFFAOYSA-N
XLogP-0.55
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione?
The IUPAC name of 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione (CID 175318366) is 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione.
What is the SMILES notation for 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione?
The canonical SMILES for 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione is CCCn1ccc(N)nc1=O.O=C1CCNC(=O)N1.
What is the InChIKey of 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione?
The InChIKey is UCGAJSIKNVAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C4H6N2O2/c1-2-4-10-5-3-6(8)9-7(10)11;7-3-1-2-5-4(8)6-3/h3,5H,2,4H2,1H3,(H2,8,9,11);1-2H2,(H2,5,6,7,8).
What are the key properties of 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione?
4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione is sourced from PubChem (CID 175318366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).