5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione

C10H18N4O2 — CID 172688045

IUPAC5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1CCC(N)N
InChIInChI=1S/C10H18N4O2/c1-2-3-7-6(4-5-8(11)12)9(15)14-10(16)13-7/h8H,2-5,11-12H2,1H3,(H2,13,14,15,16)
InChIKeyBHLLPGDVOGAUMJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.81
Rot. Bonds5

About 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione

5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 172688045) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID172688045
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1CCC(N)N
InChIInChI=1S/C10H18N4O2/c1-2-3-7-6(4-5-8(11)12)9(15)14-10(16)13-7/h8H,2-5,11-12H2,1H3,(H2,13,14,15,16)
InChIKeyBHLLPGDVOGAUMJ-UHFFFAOYSA-N
XLogP-0.81
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione (CID 172688045) is 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione is CCCc1[nH]c(=O)[nH]c(=O)c1CCC(N)N.
What is the InChIKey of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is BHLLPGDVOGAUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-3-7-6(4-5-8(11)12)9(15)14-10(16)13-7/h8H,2-5,11-12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione?
5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of -0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172688045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).