5,6-diamino-1-propylpyrimidine-2,4-dione

C7H12N4O2 — CID 10631341

IUPAC5,6-diamino-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O2/c1-2-3-11-5(9)4(8)6(12)10-7(11)13/h2-3,8-9H2,1H3,(H,10,12,13)
InChIKeyYOMSKQSCRYRZDC-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.89
Rot. Bonds2

About 5,6-diamino-1-propylpyrimidine-2,4-dione

5,6-diamino-1-propylpyrimidine-2,4-dione (PubChem CID 10631341) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5,6-diamino-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-propylpyrimidine-2,4-dione
PubChem CID10631341
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5,6-diamino-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O2/c1-2-3-11-5(9)4(8)6(12)10-7(11)13/h2-3,8-9H2,1H3,(H,10,12,13)
InChIKeyYOMSKQSCRYRZDC-UHFFFAOYSA-N
XLogP-0.89
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-propylpyrimidine-2,4-dione (CID 10631341) is 5,6-diamino-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N)c(=O)[nH]c1=O.
What is the InChIKey of 5,6-diamino-1-propylpyrimidine-2,4-dione?
The InChIKey is YOMSKQSCRYRZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-3-11-5(9)4(8)6(12)10-7(11)13/h2-3,8-9H2,1H3,(H,10,12,13).
What are the key properties of 5,6-diamino-1-propylpyrimidine-2,4-dione?
5,6-diamino-1-propylpyrimidine-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 10631341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).