N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide

C16H27N5O3 — CID 71654889

IUPACN-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(N2CCN(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H27N5O3/c1-3-4-5-6-7-17-15(23)21-12-13(14(22)18-16(21)24)20-10-8-19(2)9-11-20/h12H,3-11H2,1-2H3,(H,17,23)(H,18,22,24)
InChIKeyCRVXCAMRLXJUKG-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.43
Rot. Bonds6

About N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide

N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654889) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654889
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC NameN-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(N2CCN(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H27N5O3/c1-3-4-5-6-7-17-15(23)21-12-13(14(22)18-16(21)24)20-10-8-19(2)9-11-20/h12H,3-11H2,1-2H3,(H,17,23)(H,18,22,24)
InChIKeyCRVXCAMRLXJUKG-UHFFFAOYSA-N
XLogP0.43
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide (CID 71654889) is N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(N2CCN(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is CRVXCAMRLXJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-3-4-5-6-7-17-15(23)21-12-13(14(22)18-16(21)24)20-10-8-19(2)9-11-20/h12H,3-11H2,1-2H3,(H,17,23)(H,18,22,24).
What are the key properties of N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide?
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).