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

C10H19ClN4O2 — CID 172705488

IUPAC5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1CCC(N)N.Cl
InChIInChI=1S/C10H18N4O2.ClH/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);1H
InChIKeyDNIYUCNZGSWOHH-UHFFFAOYSA-N
MW262.74 g/mol
LogP-0.39
Rot. Bonds5

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

5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 172705488) has the molecular formula C10H19ClN4O2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID172705488
Molecular FormulaC10H19ClN4O2
Molecular Weight262.74 g/mol
Exact Mass262.12
IUPAC Name5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1CCC(N)N.Cl
InChIInChI=1S/C10H18N4O2.ClH/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);1H
InChIKeyDNIYUCNZGSWOHH-UHFFFAOYSA-N
XLogP-0.39
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 5-0.39
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;hydrochloride?
The IUPAC name of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride (CID 172705488) is 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride is CCCc1[nH]c(=O)[nH]c(=O)c1CCC(N)N.Cl.
What is the InChIKey of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is DNIYUCNZGSWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2.ClH/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);1H.
What are the key properties of 5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride?
5-(3,3-diaminopropyl)-6-propyl-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of -0.39, 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;hydrochloride is sourced from PubChem (CID 172705488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).