5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione

C10H18N4O3 — CID 12876545

IUPAC5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(N)c(N)n(CC(C)O)c1=O
InChIInChI=1S/C10H18N4O3/c1-3-4-13-9(16)7(11)8(12)14(10(13)17)5-6(2)15/h6,15H,3-5,11-12H2,1-2H3
InChIKeyHUUBMDVALDIOTQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.03
Rot. Bonds4

About 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione

5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione (PubChem CID 12876545) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione
PubChem CID12876545
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(N)c(N)n(CC(C)O)c1=O
InChIInChI=1S/C10H18N4O3/c1-3-4-13-9(16)7(11)8(12)14(10(13)17)5-6(2)15/h6,15H,3-5,11-12H2,1-2H3
InChIKeyHUUBMDVALDIOTQ-UHFFFAOYSA-N
XLogP-1.03
TPSA116.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione (CID 12876545) is 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione is CCCn1c(=O)c(N)c(N)n(CC(C)O)c1=O.
What is the InChIKey of 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione?
The InChIKey is HUUBMDVALDIOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-4-13-9(16)7(11)8(12)14(10(13)17)5-6(2)15/h6,15H,3-5,11-12H2,1-2H3.
What are the key properties of 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione?
5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione has a molecular weight of 242.28 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-(2-hydroxypropyl)-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 12876545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).