N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide

C14H23N5O2 — CID 74248529

IUPACN-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1cnc(NCC)nc1
InChIInChI=1S/C14H23N5O2/c1-4-6-7-16-12(20)10-19(3)13(21)11-8-17-14(15-5-2)18-9-11/h8-9H,4-7,10H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyGHORQDJKMNPYAV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.90
Rot. Bonds8

About N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide

N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide (PubChem CID 74248529) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide
PubChem CID74248529
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)CN(C)C(=O)c1cnc(NCC)nc1
InChIInChI=1S/C14H23N5O2/c1-4-6-7-16-12(20)10-19(3)13(21)11-8-17-14(15-5-2)18-9-11/h8-9H,4-7,10H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyGHORQDJKMNPYAV-UHFFFAOYSA-N
XLogP0.90
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide (CID 74248529) is N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide is CCCCNC(=O)CN(C)C(=O)c1cnc(NCC)nc1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is GHORQDJKMNPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-6-7-16-12(20)10-19(3)13(21)11-8-17-14(15-5-2)18-9-11/h8-9H,4-7,10H2,1-3H3,(H,16,20)(H,15,17,18).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide?
N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 74248529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).