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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Related Compounds

4-amino-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038061
4-amino-2-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038785
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650
2-(4-methylpiperazin-1-yl)-N'-propylpyrimidine-5-carbohydrazide
CID 168297156
Pyrimidine, 5-carbamoyl-2-methylamino-
CID 69179728
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide [188]
CID 87356065
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(piperazin-1-yl)pyrimidine-5-carboxamide [168]
CID 87356244
US8609678, 2-(1,4-diazepan-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [186]
CID 87365548
4-Amino-2-[(2,2-Dimethylpropyl)amino]pyrimidine-5-Carboxamide
CID 118796829
2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
2,4-bis(butylamino)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548581
(7S)-7-amino-N-[2-(dimethylamino)ethyl]-8-oxo-2,9,16,18,21-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
CID 76281174

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).