N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide

C24H44N4O3 — CID 10478205

IUPACN-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
SMILESCCCCCCCCCCCCCCCCCCNc1[nH]c(=O)n(C)c(=O)c1NC=O
InChIInChI=1S/C24H44N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-21(26-20-29)23(30)28(2)24(31)27-22/h20,25H,3-19H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyDOWNMPOEOICCAF-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.32
Rot. Bonds20

About N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide

N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide (PubChem CID 10478205) has the molecular formula C24H44N4O3 and a molecular weight of 436.64 g/mol. Its IUPAC name is N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
PubChem CID10478205
Molecular FormulaC24H44N4O3
Molecular Weight436.64 g/mol
Exact Mass436.34
IUPAC NameN-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
SMILESCCCCCCCCCCCCCCCCCCNc1[nH]c(=O)n(C)c(=O)c1NC=O
InChIInChI=1S/C24H44N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-21(26-20-29)23(30)28(2)24(31)27-22/h20,25H,3-19H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyDOWNMPOEOICCAF-UHFFFAOYSA-N
XLogP5.32
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide (CID 10478205) is N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide is CCCCCCCCCCCCCCCCCCNc1[nH]c(=O)n(C)c(=O)c1NC=O.
What is the InChIKey of N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is DOWNMPOEOICCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-21(26-20-29)23(30)28(2)24(31)27-22/h20,25H,3-19H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide?
N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 436.64 g/mol, XLogP of 5.32, 20 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-6-(octadecylamino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 10478205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).