N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide

C9H14N4O3 — CID 15931311

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide
SMILESCCCCn1c(N)c(NC=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-2-3-4-13-7(10)6(11-5-14)8(15)12-9(13)16/h5H,2-4,10H2,1H3,(H,11,14)(H,12,15,16)
InChIKeyPYPVYGKAJIDXSX-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.51
Rot. Bonds5

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide (PubChem CID 15931311) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide
PubChem CID15931311
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide
SMILESCCCCn1c(N)c(NC=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-2-3-4-13-7(10)6(11-5-14)8(15)12-9(13)16/h5H,2-4,10H2,1H3,(H,11,14)(H,12,15,16)
InChIKeyPYPVYGKAJIDXSX-UHFFFAOYSA-N
XLogP-0.51
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide (CID 15931311) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide is CCCCn1c(N)c(NC=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide?
The InChIKey is PYPVYGKAJIDXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-3-4-13-7(10)6(11-5-14)8(15)12-9(13)16/h5H,2-4,10H2,1H3,(H,11,14)(H,12,15,16).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide has a molecular weight of 226.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)formamide is sourced from PubChem (CID 15931311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).