3-(pentylamino)-1H-pyrimidine-2,4-dione

C9H15N3O2 — CID 175231386

IUPAC3-(pentylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCNn1c(=O)cc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-6-11-12-8(13)5-7-10-9(12)14/h5,7,11H,2-4,6H2,1H3,(H,10,14)
InChIKeyATZMVJMIGGUTAE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds5

About 3-(pentylamino)-1H-pyrimidine-2,4-dione

3-(pentylamino)-1H-pyrimidine-2,4-dione (PubChem CID 175231386) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(pentylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(pentylamino)-1H-pyrimidine-2,4-dione
PubChem CID175231386
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(pentylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCNn1c(=O)cc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-6-11-12-8(13)5-7-10-9(12)14/h5,7,11H,2-4,6H2,1H3,(H,10,14)
InChIKeyATZMVJMIGGUTAE-UHFFFAOYSA-N
XLogP0.27
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Amino-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 5743371
2,4(1H,3H)-Pyrimidinedione, amino-
CID 148782
3-Butyrylamino-5-fluorouracil
CID 12799737
Dimethylaminouracil
CID 17841434
Formylaminouracil
CID 53904578
Methylaminouracil
CID 68682640
3-Me thyl-4-amino uracil
CID 129778312
Piperidinouracil
CID 129816876
1-Acetylhydrazinouracil
CID 168499511
1-(Dimethylcarbamoylamino)-1-[(2,4-dioxopyrimidin-1-yl)methyl]-3,3-dimethylurea
CID 101161492
(N-methyl-N-acetyl)-aminouracil
CID 129778413
Methylhydrazinouracil
CID 129785226

Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(pentylamino)-1H-pyrimidine-2,4-dione (CID 175231386) is 3-(pentylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(pentylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(pentylamino)-1H-pyrimidine-2,4-dione is CCCCCNn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-(pentylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is ATZMVJMIGGUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-6-11-12-8(13)5-7-10-9(12)14/h5,7,11H,2-4,6H2,1H3,(H,10,14).
What are the key properties of 3-(pentylamino)-1H-pyrimidine-2,4-dione?
3-(pentylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175231386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).